A reduced second-order time accurate finite element formulation based on POD for parabolic equations

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剑桥11t2s34听力文本_英语考试_外语学习_教育专区

剑桥11t2s34听力文本_英语考试_外语学习_教育专区

Now when we get to our findings I thought we could divide them up into the different zoneswe identified on the shore and the problems organisms face in each zone.So for the highest area.....The splash zone?Yeah, we found mostly those tiny shellfish that have strong hard shells that act as protection.But not from other organisms that might eat them, predators?No, that's not the main danger for them.But the shells prevent them from drying out because they're in the open air for most of the time. Right. And since they're exposed, they need to be able to find some sort of shelter,or cover themselves up, so they don't get too hot.Then in the middle and lower zones, nearer the sea, we need to discuss the effects of wave action...Yes, and how organisms develop structures to prevent themselves from being swept away,or even destroyed by being smashed against the rocks.I haven't done anything on the geological changes. I don't know what to put for that.No, we weren't concentrating on that. Maybe we need to find some websites.Good idea. I've got the lecture notes from Mr. Blake's geology course, but they're too general. But we could ask him which books on our Reading List might be most helpful.Right. OK, now I did a draft of the section of sources of possible error in our research,but I don't know if you agree.For example, the size of the sample, and whether it's big enough to make any general conclusions from.But I thought actually we did have quite a big sample.We did. And our general method of observation seemed quite reliable.But we might not be all that accurate as far as the actual numbers go.Yeah, we might have missed some organisms —if they were hiding under a rock for example.I wasn't sure about the way we described their habitats.I decided it was probably OK.Yeah, and the descriptions we gave of the smaller organisms, they weren't very detailed,but they were adequate in this context.I'm not sure we identified all the species correctly though.OK, we'd better mention that. Now, how we...S4We've been discussing the factors the architect has to consider when designing domestic buildings.I'm going to move on now to consider the design of public buildings,and I'll illustrate this by referring to the new Taylor Concert Hall that's recently been completed here in the city.So, as with a domestic building, when designing a public building, an architect needs to consider the function of the buildingfor example, is it to be used primarily for entertainment, or for education, or for administration? The second thing the architect needs to think about is the context of the building,this includes its physical location obviously but it also includes the social meaning of the building, how it relates to the people it's built for.And finally for important public buildings,the architect may also be looking for a central symbolic idea on which to base the design,a sort of metaphor for the building and the way in which it is used.Let's look at the new Taylor Concert Hall in relation to these ideas.The location chosen was a site in a run-down district that has been ignored in previous redevelopment plans.It was occupied by a factory that had been empty for some years.The whole area was some distance from the high-rise office blocks of the central business district and shopping centre,but it was only one kilometre from the ring road.The site itself was bordered to the north by a canalwhich had once been used by boats bringing in raw materials when the area was used for manufacturing.The architect chosen for the project was Tom Harrison.He found the main design challenge was the location of the site in an area that had no neighbouring buildings of any importance.To reflect the fact that the significance of the building in this quite run-down location was as yet unknown,he decided to create a building centred around the idea of a mystery--something whose meaning still has to be discovered.So how was this reflected in the design of the building?Well, Harrison decided to create pedestrian access to the building and to make use of the presence of water on the site.As people approach the entrance they therefore have to cross over abridge.He wanted to give people a feeling of suspense as they see the building first from a distance, and then close-up,and the initial impression he wanted to create from the shape of the building as a whole was that of a box.The first side that people see, the southern wall, is just a high, flat wall uninterrupted by any windows.This might sound off-putting, but it supports Harrison's concept of the buildingthat the person approaching is intrigued and wonders what will be inside.And this flat wall also has another purpose.At night-time projectors are switched on and it functions as a huge screen onto which images are projected.PART 2The auditorium itself seats 1500 people.The floor's supported by ten massive pads.These are constructed from rubber,and so are able to absorb any vibrations from outside and prevent them from affecting the auditorium.The walls are made of several layers of honey-coloured wood, all sourced from local beech trees. In order to improve the acoustic properties of the auditorium and to amplify the sound,they are not straight, they are curved.The acoustics are also adjustable according to the size of orchestra and the type of music being played.In order to achieve this, there are nine movable panels in the ceiling above the orchestra which are all individually motorized,and the walls also have curtains which can be opened or closed to change the acoustics.The reaction of the public to the new building has generally been positive.However the evaluation of some critics has been less enthusiastic.In spite of Harrison's efforts to use local materials they criticise the style of the design as being international rather than local,and say it doesn't reflect features of the landscape or society for which it is built.剑桥雅思听力11原文(test3)SECTION 1 Questions 1-10Questions 1-6Choose the correct letter, A, B or C.Free activities in the Burnham areaExampleThe caller wants to find out about events onA 27 June.B 28 June.29 June.1 The ‘Family Welcome’event in the art gallery begins atA 10 am.B 10.30 am.C 2 pm.2 The film that is now shown in the ‘Family Welcome’event is aboutA sculpture.B painting.C ceramics.3 When do most of the free concerts take place?A in the morningB at lunchtimeC in the evening4 Where will the 4 pm concert of Latin American music take place?A in a museumB in a theatreC in a library5 The boat race begins atA Summer Pool.B Charlesworth Bridge.C Offord Marina.6 One of the boat race teamsA won a regional competition earlier this year.B has represented the region in a national competition.C has won several regional competitions.Questions 7-10Complete the sentences below.Write ONE WORD ONLY for each answer.Paxton Nature Reserve7 Paxton is a good place for seeing rare __________ all year round.8 This is a particularly good time for seeing certain unusual __________.9 Visitors will be able to learn about __________ and then collect some.10 Part of the __________ has been made suitable for swimming.SECTION 2 Questions 11-20Questions 11-15Choose the correct letter, A, B or C.Changes in Barford over the last 50 years11 In Shona’s opinion, why do fewer people use buses in Barford these days?A The buses are old and uncomfortable.B Fares have gone up too much.C There are not so many bus routes.12 What change in the road network is known to have benefited the town most?A the construction of a bypassB the development of cycle pathsC the banning of cars from certain streets13 What is the problem affecting shopping in the town centre?A lack of parking spacesB lack of major retailersC lack of restaurants and cafes14 What does Shona say about medical facilities in Barford?A There is no hospital.B New medical practices are planned.C The number of dentists is too low.15 The largest number of people are employed inA manufacturing.B services.C education.Questions 16-20What is planned for each of the following facilities?Choose FIVE answers from the box and write the correct letter, A-G, next to Questions 16-20.PlansA It will move to a new location.B It will have its opening hours extended.C It will be refurbished.D It will be used for a different purpose.E It will have its opening hours reduced.F It will have new management.G It will be expanded.Facilities16 railway station car park __________17 cinema __________18 indoor market __________19 library __________20 nature reserve __________SECTION 3 Questions 21-30Questions 21-26Complete the table below.Write ONE WORD ONLY for each answer.Subject of drawing Change to be madeA 21 __________ surrounded by trees Add Malcolm and a 22 __________ noticing himPeople who are 23 __________ outside the forest Add Malcolm sitting on a tree trunk and 24 __________Ice-skaters on 25 __________ covered with ice Add a 26 __________ for each personQuestions 27-30Who is going to write each of the following parts of the report?Write the correct letter, A-D, next to Questions 27-30.A Helen onlyB Jeremy onlyC both Helen and JeremyD neither Helen nor JeremyParts of the report27 how they planned the project __________28 how they had ideas for their stories __________29 an interpretation of their stories __________30 comments on the illustrations __________SECTION 4 Questions 31-40Complete the notes below.Write ONE WORD ONLY for each answer.ETHNOGRAPHY IN BUSINESSEthnography: research which explores human culturesIt can be used in business:to investigate customer needs and 31 __________to help companies develop new designsExamples of ethnographic research in businessKitchen equipmentResearchers found that cooks could not easily see the 32 __________ in measuring cups.Cell phonesIn Uganda, customers paid to use the cell phones of entrepreneurs.These customers wanted to check the 33 __________ used.Computer companiesThere was a need to develop 34 __________ to improve communication between system administrators and colleagues.HospitalsNurses needed to access information about 35 __________ in different parts of the hospital.AirlinesRespondents recorded information about their 36 __________ while travelling.Principles of ethnographic research in businessThe researcher does not start off with a hypothesis.Participants may be selected by criteria such as age, 37 __________ or product used.The participants must feel 38 __________ about taking part in the research.There is usually direct 39 __________ of the participants.The interview is guided by the participant.A lot of time is needed for the 40 __________ of the data.Researchers look for a meaningful pattern in the data.。

2023-2024学年浙江省钱塘联盟上学期期中联考高二年级英语试题

2023-2024学年浙江省钱塘联盟上学期期中联考高二年级英语试题

2023-2024学年浙江省钱塘联盟上学期期中联考高二年级英语试题From art galleries to historic sites these small towns in Arizona will serve you with all they have to offer.JeromeVisitors come to explore its art galleries and special gift shops, like Nellie Bly Kaleidoscopes. They can also taste local drinks at Jerome’s tasting rooms. Don’t miss Jerome State Historic Park, where you can learn about the community’s mining history. Jerome has several excellent hotel s and restaurants, so you can spend your weekend here.BisheeThis mining community is just 25 miles south of Tombstone. It was once the largest city between St Louis and San Francisco. It is popular for its art galleries, and great bars and restaurants. Several museums explore Bisbee’s mining history, including Bisbee Mining and Historical Museum. Follow this with a tour of the Queen Mine. Drive to the Lavender Pit Mining Overlook for a more modern look at mining, a few miles south of Bisbee.TombstoneWooden walkways line the dirt streets in the historic district. You can drop by the Bird Cage Theater, which is now a museum. You can also listen to live music in Big Nose Kate’s Saloon while enjoying a burger.SeligmanThe last town on Route 66 is served as the inspiration for Radiator Springs in the animated movie Cars. Stop by Delgadillo’s Snow Cap Drive-In to see cars in the parking lot painted as the characters from the movie, or drop in at the Route 66 Gift Shop Visitor Center for nice gifts. If you’re l ucky, you’ll meet Angel Delgadillo in the gift shop. He made Route 66 famous as a historic highway.1. Who may choose to go to Jerome?A.People who love to go to bars. B.People who are interested in music.D.People who want to buy some souvenirs.C.People who study the history ofwalkways.2. What do Jerome and Bisbee have in common?A.They are very close to Seligman.B.They have fascinating historic parks.C.They are famous for their historical sites.D.They give people a chance to explore museums.3. What do we know about Seligman?A.It displayed many famous gifts.B.It was built by Angel Delgadillo.C.It is important for the creation of Cars.D.It has cars painted as characters in social medias.As today’s high schoolers are facing too much homework, sports teams and clubs and high-rising college costs, many people are rethinking the idea of high schoolers part-time working. Are there still benefits of having a job in high school? The answer is yes.When I was 15 years old, my mother suggested that I get a job in order to pay for college. Delighted with my sporadic (零星的) babysitting work, I told my mother that, no matter what job I got, I’d never be able to cover college costs on a high school worker’s pay.My mother smiled and stated that there were plenty of other reasons why I should get a job beyond just the paycheck. So I found myself applying for and finally accepting a job as a swim instructor and lifeguard at my town’s public pool. I ended up working part-time at the pool through all four years of high school.Not everything about the job was marvelous, and there were times when I hated jumping in the pool on cold mornings and trying to talk kids into following my instructions, but overall, like my mother said, I got many benefits from the job beyond just the paycheck.At my job, I made lots of new friends, more than I had made in high school. I also learnt lots of skills including CPR training and office experience. I was also able to use my work experience to stand out from other job applicants in college and get a paid research job as a freshman in college. For many high school students, there are many benefits of having a job. Not only will high school jobs give you a way to make some money, meet new people, and develop some skills, you can also use your teenage jobs to get yourself a better job in college.4. What was the author’s attitude when his mother asked him to get a job?A.He was expecting it. B.He wasn’t interested in it.C.He was passionate about it. D.He didn’t feel li ke doing it.5. What does the underlined word “marvelous” in Paragraph 4 probably mean?A.Simple. B.Touching.C.Enjoyable. D.Relaxing.6. How did the author’s part-time job benefit him?A.It developed his communication skills.B.It led him to meet the best friend of his life.C.It assisted him to obtain a good job in college.D.It provided him with enough money as college fees.7. What is the best title for the text?A.My first job in senior high B.What I learnt from part-time jobsC.More than just a paycheck D.High schoolers that get into trouble Cultural heritage sites are a nonrenewable resource. Today architectural heritage sites are being destroyed at an alarming rate. They’re threatened by rising seas, pollution, overtourism, conflicts and so on. Recently, Notre Dame Cathedral has attracted international attention.Since its main construction from 1163 to 1350, Notre Dame Cathedral repeatedly has been damaged and repaired. On April 15, 2019, the landmark’s roof caught fire, causing the collapse of its spire (尖顶) and upper walls severely damaged. Work on the site began quickly. Through the work of photographer Tomas van Houtryve, writer Robert Kunzig, and artist Fernando Baptista, people will see restoring scenes where ruins are cleared and statues saved. Even the COVID-19 pandemic caused only a two-month delay. Architects have said the expensive project is on track to be completed in 2024.And thorny questions arise. What duty do we owe the creations of our ancestors? What lesson can we draw from their presence?Humankind has answered that differently. In Dresden, Germany, the Frauenkirche, an 18th-century baroque church, was famous for its bell-shaped dome(穹顶). In February 1945, one of the most destructive bombing attacks of World War II reduced the city to ruins. After German reunion, the church was reconstructed using many of its original stones, as a symbol of peace and harmony. Berlin’s Kaiser Wilhelm Memorial Church also fell to bombing but had a different story. Its spire has been le ft a ruin on purpose to be a “warning monument” against war and destruction.Like the Frauenkirche, Notre Dame is being rebuilt as close as possible to how it was before, including using the original, toxic metal—lead(铅)—for the roof, causing the debate about how to restore and maintain historic buildings. Actually, no one claims to have the “right” answers on preservation; there may not even be right answers. What people could do is to continuously monitor the global care of cultural heritage sites, as a matter of significance to humanity’s past, present, and future.8. What do we know about Notre Dame Cathedral?A.It was once threatened by conflicts.B.It collapsed totally during a fire decade ago.C.It has undergone repeated repairs since 1163.D.It was not influenced by the COVID-19 pandemic.9. What does the underlined word “thorny” mean?A.Simple. B.Tough. C.Accurate. D.Attractive10. Why are the Frauenkirche and Kaiser Wilhelm Memorial Church mentioned in para.4?A.To remind people the value of peace and harmony.B.To warn people the influence of war and destruction.C.To demonstrate different solutions to heritage site preservation.D.To introduce reconstruction methods such as using original materials.11. What does the text mainly talk about?A.Cultural heritage sites are nonrenewable so that they are worth protecting.B.Notre Dame Cathedral has been the most attractive heritage site globally.C.The reconstruction of cultural heritage sites seldom causes disagreements.D.The reconstruction of Notre Dame Cathedral after fire has been completed.Small planetary(行星) bodies is the big focus of space exploration in 2023 and People are eager to solve many of the mysteries about these tiny worlds. In 2023, the launching of two spacecrafts aims to explore some of the solar system’s smaller bodies, in an effort to understand how worlds become suitable habitats for humans to live in.The first task Jupiter Icy Moons Explorer (JUICE) was launched in April 2023 and is scheduled to land in 2031. This spacecraft from the European Space Agency (ESA) is designed to explore three of Jupiter’s major moons: Europa, Callisto and Ganymede. They are thought to have oceans of liquid water beneath their frozen shells.“The thing we are most interested in is the liquid oceans and in particular with Ganymede –we don’t know the location, the depth ,the composition of these oceans,” says ESA’s Olivier Witasse, the project scientist. “While JUICE has many goals, the most exciting one is to hunt for life there as water is crucial to life ”.Due to launch in October 2024 and arrive in 2030, the other spacecraft Psyche from NASA is named after the asteroid(小行星) it will land. Researchers believe Psyche to be an exposed iron core of a young planet. Studying planetary cores is nearly impossible on actual planets because they are so deep underground, so Psyche could present a unique opportunity.“The core is always crucial. For the Earth, it creates magnetic field (磁场)and gives off heat,” says one of the researchers of Psy che, “One of the ways to answer why Earth is habitable is to study how it was built, and Psyche is part of that story. We don’t know what we’re going to find, and if blessed, we’re going to be completely surprised because there was no previous data.”Habitability(宜居性) in our solar system is still a huge mystery, but the two spacecrafts should bring us one step closer to understanding it.12. What is the aim of the two spacecraft launching tasks?A.To study planetary bodies. B.To solve mysteries about worlds.C.To explore the solar system. D.To understand how worlds becomehabitable.13. According to Olivier Witasse, which of the following statements about JUICE is NOT true.?A.Its most important goal is to hunt for life.B.It is scheduled to travel about 8 years before it reaches its destination.C.It has found there are liquid oceans under frozen shells of Jupiter.D.It is designed by EAU to explore three of Jupiter’s major moons.14. What can be learned from Psyche task?A.Psyche will be launched to explore Psyche.B.There was a little previous data about the asteroid.C.People have known how the earth is built through it.D.Psyche’s core creates magnetic field and gives off heat.15. What is the text mainly about?A.Ganymede attracts particular attention of scientists of ESA.B.Psyche is key to helping people solve mysteries about space.C.JUICE is scheduled to explore three of Jupiter’s major moons.D.The launching of two spacecrafts is to help understand habitability.The use of fossil fuels in transportation is one of the major reasons for climate change. A survey by the Asian Development Bank indicates that Asia’s carbon dioxide emissions from transportation increased 3.9 percent yearly, nearly twice the global level.If left u nchecked, emissions from transport will continue to rise. By 2050, Asia’s demand for transportation will likely double from the current level. 16 They should aim to achieve the low-carbon goal in transportation.17 For example, the energy efficiency in transport systems is dissatisfying and dependence on high-carbon energy resources is heavy. The Institute for Transportation and Development Policy (ITDP) proposed several strategies for Asian cities to become low-carbon in transport.First, shorten travel time and distance. City planning should be focusing on reducing people’s travel time as well as cutting carbon emissions through practical measures. 18 They also have introduced “15-minute life circles” to shorten travel time and distance.Second, improve transportation structure. It is important to encourage the use of low-carbon transportation means and reduce high-emissions vehicles. Most Asian cities including Yichang in China and Jakarta in Indonesia are not large and thus suitable for building effective and economicpublic transit systems. 19 These successful practices have set up examples for other Asian cities to follow.Third, promote the use of clean energy. 20 Public vehicles such as taxis, shared cars, service cars, and sanitation vehicles should be the first to stop using fossil fuel and go electric, followed by private cars, trucks and ships.As the continent with one of the largest number of developing economies, Asian is key to pushing the global low- carbon transition. With regional joint efforts, the transition could be more practical and hopeful.Taylor Hash desired to become a career pilot and she was under training. One day, she had just started building up hours of flight time when a__________struck. As she guided the Diamond Star plane off the runway at airport, on her third-ever independent__________, the front tyre of her plane fell off.Taylor was__________at that point that she had just lost crucial landing equipment. “I didn’t feel anything on the take-off__________” she said.__________pilot Chris Yates, though, saw something and immediately took action. He knew that Taylor would have to make a difficult emergency landing. He__________the control tower and said, “The Diamond Star that just took off lost its nose wheel tyre on the runway.”Yates asked people there to put him through to Taylor so he could help her. When Taylor learned what had happened, she was in__________._________,Yates knew that the most important thing would be to keep Taylor calm so she could follow him__________. Yates started by reassuring Taylor and told her that shecould__________above the field until she was ready to land. “When you touch down, I just want that stick all the way back. You’re gonna hold that stick back like you don’t want that nose to touch,” he__________her.Despite feeling unsure, Taylor trusted Yates. With palms sweaty and lips__________,Taylor successfully create a best landing chance. Ultimately, she strained every nerve to manage toland___________.No sooner had Yates extended his arms than Taylor hugged him tightly with tearsof__________rolling down cheeks. Yates smiled, patted on her shoulder and encouraged, “it was your excellent skill that help yourself__________the emergency successfully. I am so proud of you.”21.A.event B.disaster C.fantasy D.consequence 22.A.trip B.slide C.mission D.practice23.A.ignorant B.clear C.unaware D.conscious 24.A.process B.progress C.switch D.flow25.A.Calm B.Strange C.Experienced D.Warm-hearted 26.A.controlled B.socialized C.radioed D.reported 27.A.sorrow B.thrill C.panic D.surprise28.A.While B.Otherwise C.Therefore D.Nevertheless 29.A.timely B.quietly C.apparently D.attentively 30.A.wait B.pause C.touch D.circle31.A.blamed B.instructed C.described D.explained 32.A.opening B.widening C.swinging D.trembling 33.A.narrowly B.smoothly C.correctly D.quickly34.A.terror B.regret C.delight D.gratitude35.A.deal with B.tear apart C.take up D.leave out阅读下面材料,在空白处填入适当的内容(1个单词)或括号内单词的正确形式。

9-Personality and environmental concern

9-Personality and environmental concern

Personality and environmental concernJacob B.Hirsh *Department of Psychology,Sidney Smith Hall,100St.George Street,Toronto,Ontario,Canada M5S 3G3a r t i c l e i n f oArticle history:Available online 25January 2010Keywords:Personality Big fiveEnvironmental concern Environmentalism GSOEPa b s t r a c tPeople vary considerably in their attitudes toward environmental issues.Although some individuals view the environment from a purely utilitarian perspective,others are concerned about environmental sustainability and maintaining an ecological balance.The current study examines the relationship between personality characteristics and environmental concern in a community sample of 2690German adults.Structural equation modeling revealed that greater environmental concern was related to higher levels of Agreeableness and Openness,with smaller positive relationships emerging with Neuroticism and Conscientiousness.Ó2010Elsevier Ltd.All rights reserved.1.IntroductionFor better or for worse,human behavior has a large influence on the global ecology.Many of the environmental challenges facing us today are a direct result of human actions,and as such may require behavioral solutions (Oskamp,2000;Saunders,2003).In recogni-tion of this fact,many researchers have investigated the social and psychological factors that influence environmental attitudes and behaviors.Much of this research has focused on the role of specific values,beliefs,and norms as predictors of environmental concern (Dietz,Fitzgerald,&Shwom,2005;Dietz,Stern,&Guagnano,1998;Schultz,2001;Van Liere &Dunlap,1980).More recently,environmentalism has been examined from the perspective of the ‘‘Big Five’’taxonomy of personality traits,which describes variation in human personality across the five broad dimensions of Extraversion,Agreeableness,Conscientiousness,Neuroticism,and Openness to Experience (Goldberg,1993).These broad trait dimensions can be used to predict more specific atti-tudes and value orientations (McCrae &Costa,2008;Roccas,Sagiv,Schwartz,&Knafo,2002).Two of these traits,Agreeableness and Openness,have emerged as significant predictors of pro-environ-mental values (Hirsh &Dolderman,2007).These findings are consistent with theoretical models that relate pro-environmental attitudes to higher levels of empathy and self-transcendence (Schultz,2000;Schultz &Zelezny,1999),which appear to be related to Agreeableness and Openness,respectively.Individuals who are more empathic and less self-focused appear more likely to develop a personal connection with nature,which in turnpredicts their pro-environmental attitudes (Bragg,1996;Mayer &Frantz,2004).Indeed,developing such an emotional affinity toward the natural environment can bolster one’s motives for environmental protection (Kals,Schumacher,&Montada,1999).While both Agreeableness and Openness fit well into theoretical models of pro-environmental attitudes,the initial study demon-strating their predictive utility was limited to a relatively small sample of undergraduate students (N ¼106).The initial study was also limited by the imbalance of male (n ¼32)and female (n ¼74)participants,making it difficult to examine the importance of gender as a moderating variable.The current study extends this previous research by examining the personality predictors of environmental concern in a much larger community sample of German adults (N ¼2690).Additionally,structural equation modeling was used to provide error-reduced estimates of the true relationships between the variables of interest.It was hypothesized that both Agreeableness and Openness would remain significant predictors of increased environmental concern.2.Methods 2.1.ParticipantsData analyses were based on the responses of 2690participants of the German Socio-Economic Panel Study (GSOEP),a longitudinal research project that polls a large and diverse sample of German households (Haisken-DeNew &Frick,2005).While the full GSOEP sample is considerably larger,the current analysis could only be conducted on the subset of respondents who completed the available measures of personality and environmental concern,described below.The age of participants in the current sample ranged from 26to 93years (M ¼54.1,SD ¼14.6).A reasonably*Fax:þ14169784811.E-mail address:jacob.hirsh@utoronto.caContents lists available at ScienceDirectJournal of Environmental Psychologyjournal homepa ge:/locate/jep0272-4944/$–see front matter Ó2010Elsevier Ltd.All rights reserved.doi:10.1016/j.jenvp.2010.01.004Journal of Environmental Psychology 30(2010)245–248balanced proportion of male(47%)and female(53%)respondents were included.2.2.Materials2.2.1.PersonalityIn2005,GSOEP participants completed a15-item version of the Big Five Inventory(BFI;Gerlitz&Schupp,2005;John,Donahue,& Kentle,1991),which measures the Big Five personality traits of Extraversion,Agreeableness,Conscientiousness,Neuroticism,and Openness to Experience.This shortened version of the BFI,known as the BFI-S,demonstrates good internal coherence and has been validated against longer inventories assessing thefive major factors of personality.Each trait domain is represented by3descriptive phrases to which respondents must rate their agreement on a scale ranging from1(Does not apply)to7(Does apply).Sample phrases include‘‘Worry a lot’’and‘‘Value artistic experiences’’.2.2.2.Environmental concernAlthough there is no standard scale measuring environmental concern in the GSOEP dataset,there are a number of specific items that probe respondents’environmental attitudes.In the current analysis,we used3items administered at multiple time points as indicators of a latent environmental concern factor.In particular, the items of interest were‘‘Environmentally Conscious’’,‘‘Importance of Environmental Protection’’,and‘‘Worried about Environment’’. Each of these items was administered on multiple occasions.To the extent that there is a stable dispositional component to environ-mental concern,it should be captured by the shared variance of these cross-time measures(cf.Kenny&Zautra,1995).The‘‘Environmentally conscious’’item was administered in 1998and2003;the‘‘Importance of environment’’item was administered in1994,1998,and1999;finally,the‘‘Worried about environment’’item was based on data collected in2005–2007. Examining the shared variance amongst these items allowed for an error-reduced estimate of environmental concern across a large time period.2.3.Analytic techniqueStructural equation modeling was used to explicitly model sources of error in the dataset,thereby providing more accurate estimates of the true relationships between the variables of interest.In particular,we employed a measurement model that accounts for acquiescence bias,halo bias,and the observed corre-lations among Big Five personality traits(Anusic,Schimmack, Pinkus,&Lockwood,2009).First,each Big Five domain was modeled as a latent factor reflected in the3indicator items(e.g.,‘‘Value artistic experiences’’).Second,a halo bias factor was modeled as the shared variance among each of these latent Big Five domains. Third,an acquiescence factor was modeled as the shared variance amongst each of the individual questionnaire items.Fourth,the higher-order Big Five factors(DeYoung,2006;Digman,1997; McCrae et al.,2008)were modeled as reflecting the shared vari-ance among Agreeableness,Conscientiousness,and Neuroticism (Stability or Alpha),and Extraversion and Openness(Plasticity or Beta).In order to ensure the model would be identified,the regression weights werefixed to be equal for the loadings within each of the halo,acquiescence,and higher-order personality factors.Note,however,that while such equality constraints force the unstandardized coefficients to be equal,the standardized coefficients(as will be reported below)also depend upon the variance of the indicators and may thus differ from one another.Environmental concern was modeled in a two-step hierarchical process.First,three latent variables were constructed,one for each set of the environmental items described above.For example,the three separate assessments of‘‘Importance of environmental protection’’were used as indicators of a latent factor.Second,an overall environmental concern factor was modeled as the shared variance amongst each of the three item-based environmental factors.Regression lines predicting this overall environmental concern variable were drawn from each of the latent Big Five trait factors.The resulting model allowed for an error-reduced exami-nation of the contributions of the Big Five personality traits to environmental concern over time.3.Results3.1.ModelfitReasonablefit is provided by a model when CFI>.90,RMSEA<.08, and SRMR<.10(Kline,2005).The current model demonstrated acceptable to goodfit,with a CFI of.91,RMSEA of.045(90%confidence interval of.043–.047),and SRMR of.05.The chi-square value of 1406.46(df¼218)was significant at p<.001;however,because the current sample is relatively large,the chi-square test is not an optimal indicator offit.3.2.Personality and environmental concernThe model and estimated parameters are presented in Fig.1.The latent environmental concern factor was strongly related to each of the three item-based environmental factors,including‘‘importance of environmental protection’’(b¼.94),‘‘worried about environ-ment’’(b¼.64),and‘‘environmentally conscious’’(b¼.62).Envi-ronmental concern was in turn significantly predicted by individual differences in the Big Five personality traits.In particular,greater environmental concern was significantly associated with higher levels of Agreeableness(b¼.22),Openness(b¼.20),Neuroticism (b¼.16),and Conscientiousness(b¼.07).In contrast,no significant relationship was observed with Extraversion(b¼.02).3.3.Demographic variablesAge,gender,and household income were added to the model in order to examine the importance of demographic variables in predicting environmental concern.A regression line predicting the latent environmental concern factor was drawn from each of the demographic variables.Including these variables did not change the relationships between personality and environmental concern, although it did decrease the overallfit of the model(CFI¼.84; RMSEA¼.053;SRMR¼.06).Nonetheless,significant relationships were observed,with environmental concern being positively associated with age(b¼.13)and negatively with household income (b¼À.06).Women also displayed higher levels of environmental concern than men(b¼.07),consistent with previous research (Davidson&Freudenburg,1996).3.4.Examination of possible gender moderationBecause the sample contained a large number of both males and females,it was possible to examine the possible interactions between gender and personality in the prediction of environmental concern. The model depicted in Fig.1was therefore extended to a multiple-groups confirmatory factor analysis,with the model being estimated simultaneously for males and females.The model again demonstrated acceptablefit when no equality constraints were imposed across groups(CFI¼.91;RMSEA¼.031;SRMR¼.054).Constraining the factor loadings and structural covariances to be equal across the groups did not significantly reduce modelfit(CFI¼.91;RMSEA¼.030;J.B.Hirsh/Journal of Environmental Psychology30(2010)245–248 246SRMR ¼.056;D c 2¼31.67,D df ¼26,p ¼.20).Conversely,with this fully constrained model in place,allowing the regression weights of the Big Five domains on the Environmental Concern variable to vary freely did not improve model fit (CFI ¼.91;RMSEA ¼.031;SRMR ¼.056;D c 2¼2.73,D df ¼5,p ¼.74).The relationship between the Big Five and environmental concern thus did not appear to be moderated by gender.4.DiscussionAs in previous research,greater environmental concern was related to higher levels of the Big Five personality traits of Agree-ableness and Openness (Hirsh &Dolderman,2007).These rela-tionships appear to be relatively robust,given that they were replicated using different measures,obtained from an adult rather than student population,and in a German rather than Canadian sample.Additionally,these effects were observed despite the removal of error variance through structural equation modeling.The current study thus provides additional support for the impor-tance of these two personality traits in predicting environmental attitudes,while further demonstrating that their importance does not appear to be moderated by gender.Both Agreeableness and Openness have been related to the higher-order personal value of self-transcendence,reflecting an expanded sense of self and a greater concern for others (Olver &Mooradian,2003;Roccas et al.,2002).Agreeableness,for instance,is related to higher levels of empathy (Ashton,Paunonen,Helmes,&Jackson,1998),which is thought to support pro-environmental motives (Schultz,2000).Individuals who are lower in Agreeableness tend to be more selfish generally speaking,and are less concerned about the welfare of others.Openness,meanwhile,is associated with increased cognitive ability and flexibility in thought (DeYoung,Peterson,&Higgins,2005),potentially affording a broader perspective on humanity’s place in the larger ecology and a greater aesthetic appreciation of natural beauty.Less open individuals,in contrast,are likely to have a narrower and more conservative perspective on nature’s value.An unexpected finding was the effect of Neuroticism,with more neurotic individuals demonstrating significantly higher levels of environmental concern.Although this relationship was not found in the preliminary study that employed the Big Five (Hirsh &Dolderman,2007),it was previously found to predict support for environmental preservation (Wiseman &Bogner,2003)when measured with the Eysenck Personality Questionnaire (Eysenck &Eysenck,1975).One explanation for this finding is that neurotic individuals tend to be more worried about negative outcomes in general,and so concern about the environment may reflect anxiety about the consequences of environmental degradation (whereas emotionally stable individuals would potentially experience less affective disturbance when thinking about this topic).It isthusFig.1.Structural regression model with the Big Five traits predicting environmental concern.Halo represents an evaluative bias factor.Acquiescence represents acquiescence bias in scale usage.Stability and Plasticity represent the two higher-order Big Five traits.EC1¼‘‘Importance of Environmental Protection’’items;EC2¼‘‘Worried about Environment’’items;EC3¼‘‘Environmentally Conscious’’items.Structural error terms are presented for all endogenous variables,with the critical ratios in parentheses.Measurement error terms were omitted from the figure to improve readability.J.B.Hirsh /Journal of Environmental Psychology 30(2010)245–248247possible that neurotic individuals would demonstrate a more egoistic form of environmental concern,rather than an altruistic one(Schultz,2001).A secondfinding that was unpredicted from previous research on this topic is the fact that Conscientiousness had a small but signifi-cant positive association with environmental concern.Given the relatively small magnitude of this relationship,it is perhaps unsur-prising that the previous study employing a smaller sample size did not uncover this result.The importance of Conscientiousness for environmental concern is consistent with studies that link this trait to higher levels of social investment and prudent rule-adherence in general(Lodi-Smith&Roberts,2007).Highly conscientious indi-viduals might be expected to carefully follow social guidelines and norms for appropriate environmental action,whereas less consci-entious individuals might be more willing to‘‘cut corners’’when it comes to environmentally responsible behavior.The current analysis has a number of strengths over previous inquiries into the relationship between personality and environ-mental concern.First,the large sample provided by the longitudinal GSOEP study allowed for a more detailed structural analysis of the relevant variables.Second,the sample was more representative of the larger population in terms of age and gender distribution.While previous research has mostly employed undergraduate students, the current sample had a much broader age range that stretched further into the lifespan.Third,the inclusion of multiple time-lagged measures allowed for an examination of the personality predictors of environmental concern across long periods of time.Despite the strengths of the study,there are also some note-worthy limitations.These limitations are primarily related to the measures that were administered as part of the GSOEP project.In particular,while the15-item BFI-S provides a good measure of the broad Big Five factors,it does not allow for an assessment of lower-order personality traits.It is possible that certain aspects of each Big Five domain would be more strongly related to environmental concern than others,but this could not be examined in the current data.Similarly,the measures of environmental concern were derived from the available items,but they did not reflect a compre-hensive coverage of the entire domain of environmental attitudes.It is certainly possible that personality traits may be differentially related to the various aspects of environmental concern(Milfont& Duckitt,2004;Schultz,2001;Wiseman&Bogner,2003).Future research could explore these possibilities by employing more detailed measures of personality and environmental concern. Nonetheless,the current study provides support for the importance of personality traits in relation to environmental attitudes,and thereby provides a useful framework for more targeted investiga-tions into the processes underlying these relationships. ReferencesAnusic,I.,Schimmack,U.,Pinkus,R.,&Lockwood,P.(2009).The nature and structure of correlations among bigfive ratings:the halo-alpha-beta model.Journal of Personality and Social Psychology,97(6),1142–1156.Ashton,M.,Paunonen,S.,Helmes,E.,&Jackson,D.(1998).Kin altruism,reciprocal altruism,and the bigfive personality factors.Evolution and Human Behavior, 19(4),243–255.Bragg,E.A.(1996).Towards ecological self:deep ecology meets constructionist self-theory.Journal of Environmental Psychology,16(2),93–108.Davidson,D.,&Freudenburg,W.(1996).Gender and environmental risk concerns:a review and analysis of available research.Environment and Behavior,28(3),302–339.DeYoung,C.G.(2006).Higher-order factors of the bigfive in a multi-informant sample.Journal of Personality and Social Psychology,91(6),1138–1151. DeYoung,C.G.,Peterson,J.B.,&Higgins,D.M.(2005).Sources of openness/intel-lect:cognitive and neuropsychological correlates of thefifth factor of person-ality.Journal of Personality,73(4),825–858.Dietz,T.,Fitzgerald,A.,&Shwom,R.(2005).Environmental values.Annual Review of Environment and Resources,30,335–372.Dietz,T.,Stern,P.,&Guagnano,G.(1998).Social structural and social psychological bases of environmental concern.Environment and Behavior,30(4),450–471. Digman,J.M.(1997).Higher-order factors of the bigfive.Journal of Personality and Social Psychology,73(6),1246–1256.Eysenck,H.J.,&Eysenck,S.B.G.(1975).Manual of the Eysenck personality ques-tionnaire.London:Hodder&Stoughton.Gerlitz,J.,&Schupp,J.(2005).Zur erhebung der big-five-basierten perso¨n-lichkeitsmerkmale im SOEP.[The collection of big-five-based personality charac-teristics in the SOEP].DIW Research Note,4.Goldberg,L.R.(1993).The structure of phenotypic personality traits.American Psychologist,48(1),26–34.Haisken-DeNew,J.,&Frick,J.(2005).Desktop companion to the German socio-economic panel study.Berlin:German Institute for Economic Research(DIW). Hirsh,J.B.,&Dolderman,D.(2007).Personality predictors of consumerism and environmentalism:a preliminary study.Personality and Individual Differences, 43,1583–1593.John,O.,Donahue,E.,&Kentle,R.(1991).The bigfive inventory:Versions4a and54.Berkeley:University of California,Berkeley,Institute of Personality and Social Research.Kals,E.,Schumacher,D.,&Montada,L.(1999).Emotional affinity toward nature as a motivational basis to protect nature.Environment and Behavior,31(2), 178–202.Kenny,D.,&Zautra,A.(1995).The trait-state-error model for multiwave data.Journal of Consulting and Clinical Psychology,63(1),52–59.Kline,R.(2005).Principles and practice of structural equation modeling.New York: The Guilford Press.Lodi-Smith,J.,&Roberts,B.(2007).Social investment and personality:a meta-analysis of the relationship of personality traits to investment in work, family,religion,and volunteerism.Personality and Social Psychology Review, 11(1),68–86.Mayer,F.,&Frantz,C.(2004).The connectedness to nature scale:a measure of individuals’feeling in community with nature.Journal of Environmental Psychology,24(4),503–515.McCrae,R.R.,&Costa,P.T.,Jr.(2008).Thefive-factor theory of personality.In O.P.John,R.W.Robins,&L.A.Pervin(Eds.),Handbook of personality theory and research(3rd ed.).(pp.159–181)New York,USA:Guilford Press.McCrae,R.R.,Jang,K.L.,Ando,J.,Ono,Y.,Yamagata,S.,Riemann,R.,et al.(2008).Substance and artifact in the higher-order factors of the bigfive.Journal of Personality and Social Psychology,95(2),442–455.Milfont,T.,&Duckitt,J.(2004).The structure of environmental attitudes:afirst-and second-order confirmatory factor analysis.Journal of Environmental Psychology, 24(3),289–303.Olver,J.,&Mooradian,T.(2003).Personality traits and personal values:a conceptual and empirical integration.Personality and Individual Differences,35(1),109–125. Oskamp,S.(2000).A sustainable future for humanity?How can psychology help?American Psychologist,55(5),496–508.Roccas,S.,Sagiv,L.,Schwartz,S.,&Knafo,A.(2002).The bigfive personality factors and personal values.Personality and Social Psychology Bulletin,28(6),789–801. Saunders,C.(2003).The emergingfield of conservation psychology.Human Ecology Review,10(2),137–149.Schultz,P.W.(2000).Empathizing with nature:the effects of perspective taking on concern for environmental issues.Journal of Social Issues,56(3),391–406. Schultz,P.W.(2001).The structure of environmental concern:concern for self, other people,and the biosphere.Journal of Environmental Psychology,21(4), 327–339.Schultz,P.W.,&Zelezny,L.(1999).Values as predictors of environmental attitudes: evidence for consistency across14countries.Journal of Environmental Psychology,19(3),255–265.Van Liere,K.,&Dunlap,R.(1980).The social bases of environmental concern:a review of hypotheses,explanations and empirical evidence.Public OpinionQuarterly,44(2),181–197.Wiseman,M.,&Bogner,F.(2003).A higher-order model of ecological values and its relationship to personality.Personality and Individual Differences,34(5), 783–794.J.B.Hirsh/Journal of Environmental Psychology30(2010)245–248 248。

化工热力学--纯流体的容量性质第 --第三章普遍化关联式和偏心因子3.6-1

化工热力学--纯流体的容量性质第 --第三章普遍化关联式和偏心因子3.6-1

3-6 Generalized Correlations and the Acentric Factor…....introduction
Such generalized correlations represent a great improvement over the ideal-gas law. The basic presumption ( 假想 ) is that the compressibility factor (and certain other thermodynamic properties) of any gas is determined by its reduced temperature and pressure.
the vapor pressure of a material
approximately linear in ( 与…成线性关
系 ) the reciprocal of absolute
temperature,
we may write
log10
P sat r

a

b Tr
Where
P sat r
is

1 Tr

Thus a is the negative slope of the reducedvapor pressure curve when log10Prsat vs. 1/Tr
is represented by a straight line.
3-6 ……………………………………………………… Acentric Factor
Z
1
BP RT
1
BPc RTc

Pr Tr

ACCA F5 题型归类--variance

ACCA F5 题型归类--variance

General standard costing1. outline the use of standard costing●standard costing is useful where there is a significant degree of repetitionin the production process. This is because the standard costs are averages.●Valuation of inventories and costs of production for reporting purposes●Provide an excellent basis which enables costs to be monitored, reviewedand controlled by management●Enable the exception reporting through the use of variance analysis tocontrol costs with a lower degree of effort and less time●Assisting in the budgeting process●Establish a good basis to evaluate managerial performance●Motivation of staff by setting demanding and achievable standards –attainable standards●Improving efficiency. Standard setting is often viewed as a way ofunderstanding the detail of objectives and processes. If standards are an accurate reflection of a process, then they can be used to highlight ways of improving efficiency and act as signals when the process becomes inefficient. 【comparison – corrective actions】2. discuss the reasons why standars have to be reviewed●once standards have been set, they cannot be assumed to be accurateover long periods of time. standards have to be reviewed to enable the benefits of standard costing to continue.●For example, in environments which continuously seek greater efficiencyand reduced costs of production, standards have to change to reflect such improvements.●In a fast-moving environment, standards can very quickly become out ofdate.●Moverover, other purposes of standards are undermined, if they are notcontinually reviewed:●The motivational impact of standards●Assessment of managerial performance●Reporting procedures●The credibility of standards in their role in assisting with the budget setting ✋Budget and Standards: standards can be used in these budgets --✋Participation and imposed budgets; incremental budget; fixed budget;✋Rolling budget,ZBB and ABB have different kind of standards3. examine the impact of the operational changes on the profitability ofthe company●operational changes: improve the materials’quality by changing thesuppliers; increase the selling price; introduce more skilled labour;significantly reduce fixed overheads●by maximising achievement, staff may be motivated to perform better withan asipirations budget 【difficult but credible】●these changes may result in some adverse variances in short-term.Managers should be better off assessing performance in long run.4. discuss the types of standard used in standard costing and theireffect on employee motivation●the theory of motivation suggests that having a clearly defined targetresults in better performance . that targets need to be accepted by the staff involved and more demanding targets increase motivation provided they remain accepted●basic standard: remains unchanged for a long period and is only used toshow trends over time. it becomes increasingly easy to achieve. Be undemanding gradually, may have a negative impact on motivation.Standards that easy to achieve will give employees little to aim at.●ideal standard: represent the outcome that can be achieved under perfectoperating conditions, with no inefficiencies at all. obviously, these conditions are unlikely to occur . ideal standards will be very demanding and are unlikely to be accepted as targets seem to be unachieved. Using it may have a negative effect on employee motivation.●current standard : based on current operating conditions and incorporatecurrent levels of wastage, inefficiencies and machine breakdown. There is no improvement beyond its current level and their impact on motivation will be a netural one.●attainable standard : can be achieved by taking account of some wastage,inefficieny and machine breakdown. They are likely to be more demanding and have a positive effect on employee motivation. Since they are improved but still can be achieved.Variances1. explain the possible reasons for inter-relationships between A and B,or A/B/C✋material price variance VS material usage variance✋material price variance VS labour efficiency variance✋material price variance VS material yield variance✋material mix variance VS material yield variance✋material price variance VS sales volume variance✋selling price variance VS sales volume variance✋material usage variance VS labour efficiency variance✋labour rate variance VS labour efficiency variance✋labour efficiency variance VS variable overhead efficiency variance✋variable o/h expenditure variance VS variable o/h efficiency variance✋sales volume variance VS fixed o/h …2. state possible causes of an adverse/favorable X variance✋errors in standard setting: ignorance of learning effect; inaccurate information for standard settting; wrong prediction; poor budgeting;whether it is a new product or not 【new product always may result in some adverse material usage variance and labour efficiency variance; 】✋material price variance : negotiation; buy in bulk; change of suppliers; the flucturation of the market 【material shortage in the market】; change of the quality;✋material usage variance : change of the quality; the change of the production process; wastage by the less skilled labour; spoilage due to less monitoring;✋material mix variance : change of the production process;production manager’s own decision for a bonus;✋material yield variance : change of the quality; change of the mix; change of the grade of labour; change of working practices;✋labour rate variance : change of the grade of the labour; average change of the rate;✋labour efficiency variance : change of the labour rate; change of the grade of labour; change of the machines; change of monitoring; training;✋idle time variance : change of the machines—breakdown; change of the labour grade; material capacity; change of production rate ( paide a fixed number of hours per week)✋variable overhead expenditure variance : change of the rate;✋variable overhead efficiency variance : change of the rate; change of labour grade;✋fixed overhead expenditure variance: monitoring; change of the cost structure ; dysfunctional behaviours 【delay the payment of maintenance】✋fixed overhead volume variance : a technical issue; change in demand or alterations to stockholding policy; changes of productivity due to labour grade or machines 【upgrade it】✋fixed overhead efficiency variance : change of labour grade;✋fixed overhead capacity variance : change in production volume due to demand/ production process/ machine/ labour grade;✋selling price variance :✋sales volume variance : price change; change of customers’ buying habits;competition【loss of market share】; shrinking of markets; change of production capacity 【efficiency; yield】; seasonal variation3. comment for management on each variance including variance trend4. comment on the performance of A/B/C managers using the variancesand other information and reach a conclusion as to wheather or not they have each performed well✋identify the variances that different managers may take responsibility of .sometimes, a single variance may be affected by decisions from several mangers.✋comment in terms of the variances they achieved – favorable and adverse;state the inter-relationships between these variances and possible causes of these variances;✋comment in terms of other information✋reach a conclusion : calculate the total variances that under control of each manager and conclude their performance.5. discuss factors to be considered in deciding whether a varianceshould be investigated●size/ significance : large variances should be investigated as they above agiven size. For example, a policy could be established to investigate all variances of 5% or more.●adverse or favorable: it is natural to concentrate on adverse variances inorder to bring business operations back in line with targets. However, some favorable variances should be checked as well, since they may indicate the presence of budgetary salck. Or suggest ways in which the budgeting process could be improved to motivate .●cost versus benefits : if the expected cost of investigating a variance islikely to exceed any benefits expected to arise from its correction, it may be decided not to investigate. With a new product especially, all of the standards would need time to get right. A detailed investigation may prove uneconomic.●historical pattern of variances: an unusally variance compared to historicalpatterns of variances may be considered worthy of investigation.●reliability and quality of data : if the quality of measuring and recordingsystem is not as high as would be liked, there may be uncertainty about the benefits to arise from investigation of variances.●cumulative variances over time : the size of the variance in each periodmay not, on its own, be sufficient to justify investigation, but the continuing trend might indicate an underlying cause for the variances that should be investigated.●reliability of budgeting6. interpret A/B/C variances – definition✋take some examples !!✋material price variance : the acutal price paid for materials is different to standard.✋material usage variance✋material mix variance: measure the impact of a change in material mix on profit. Maybe more cheaper materials are used in place of expensive one. ✋material yield variance :✋labour rate variance✋labour efficiency variance✋selling price variance✋sales volume varince7. discuss the merits, or otherwise, of calculating the material mix andyield variances●mix and yield variances are useful to sub-analyse the material usagevariance when material inputs to a product can be varied.●It is common for mix and yield to be interrelated , and by analysing thevariances, an optimal mix can be decided.8. comment on the sales performance of the business – after revision ✋divide it into sales price and volume to evaluate the performance✋sales price : competition; to boost a larger volume; new features of the product ; 【depend upon the pricing strategy 】; better negotiation with customers✋sales volume : competition; market size; price change; new features of the product ; better sales staff ;✋total variance: for example, the favorable volume variance is 3000, but the adverse selling price variance is 5000, thus, we may suggest that the lower of price may not be that well.9. when budget revisions should be allowed or otherwise● a budget forms the basis of many performance management systems.Once set, it can be compared to the actual results of an organisation to assess performance.● A change to the budget can be allowed in some circumstances but thesemust be carefully controlled if abuse is to be prevented●Allowance : when something happened that is beyond the control of theorganisation which renders the original budget inappropriate for use as a performance management tool【control; motivation; evaluation】. The adjustments should be approved by senior management who should take an objective and independent view. Not affected by the comment from the relevant managers●Disallowance : for operational issues. That within the operational control ofa division●Overall, the decision whether to revise a budget is quite complex✋State of the use of a budget✋Change of a budget✋Allowance and disallowance10. discuss the results of the planning and operational variances✋comment on the performances in terms of planning and opertional sides ✋“once the budget is amended to reflect the new standard costs, acutal results can be compared to the new budget”“the revison is quite revealing”✋Conclusion11. prepare X variance summaries for several months12. prepare a summary financial statement showing the overallperformance – several periods’ data✋work out the cumulative actual results and cumulative budget costs to get the total variances13. prepare a standard costing profit statement based on actual results14. prepare a statement 【an operating statement】of the variances whichreconcils the actual with the standard profit or loss figure15. prepare a statement including the planning and operational variances. ✋The formula is:Original budgeted contribution→ planning variances → sales volume variance →revised budgeted contribution →operational variances →selling price variance → total operational variances → actual contribution16. write a report to comment on the performance of the business.suggest possible causes for the features and state the further information that would be helpful in assessing the performance of the business✋illustrate the variances from volumes to fixed variances✋then conclude the overall performance on total variances✋if the comment is based on a summary statement 【there are several periods’variances】, then it is better off to illustrate some significant changes in the trend of variances, or unusual things happened. For example, the material price variance became adverse in last period. Or the labour efficiency variance turned to favorable in the third period. Or whether the fixed costs came to under control in some period.✋。

Highly accurate calculations__ of____ molecular electronic structu

Highly accurate calculations__ of____ molecular electronic structu

J.Phys.B:At.Mol.Opt.Phys.32(1999)R103–R130.Printed in the UK PII:S0953-4075(99)93669-6 TOPICAL REVIEWHighly accurate calculations of molecular electronic structure Wim Klopper†¶,Keld L Bak‡,Poul Jørgensen§,Jeppe Olsen§andTrygve Helgaker†Theoretical Chemistry Group,Debye Institute,Utrecht University,Padualaan14,NL-3584CHUtrecht,The Netherlands‡UNI-C,Olof Palmes All´e38,DK-8200Århus N,Denmark§Department of Chemistry,Århus University,DK-8000Århus C,DenmarkDepartment of Chemistry,University of Oslo,PO Box1033,N-0315Oslo,NorwayReceived1March1999Abstract.The highly accurate calculation of molecular electronic structure requires the expansionof the molecular electronic wavefunction to be as nearly complete as possible both in one-and n-electron space.In this review,we consider the convergence behaviour of computed electronicenergies,in particular electronic enthalpies of reaction,as a function of the one-electron space.Based on the convergence behaviour,extrapolations to the limit of a complete one-electron basisare possible and such extrapolations are compared with the direct computation of electronic energiesnear the basis-set limit by means of explicitly correlated methods.The most elaborate and accuratecomputations are put into perspective with respect to standard and—from a computational pointof view—inexpensive density functional,complete basis set(CBS)and Gaussian-2calculations.Using the explicitly correlated coupled-cluster method including singles,doubles and non-iterativetriples replacements,it is possible to compute(the electronic part of)enthalpies of reaction accurateto within1kJ mol−1.To achieve this level of accuracy with standard coupled-cluster methods,large basis sets or extrapolations to the basis-set limit are necessary to exploit fully the intrinsicaccuracy of the coupled-cluster methods.AbbreviationsANO Atomic natural orbitalAO Atomic orbitalAPNO Atomic pair natural orbitalB3LYP Becke3–Lee–Yang–Parr hybrid DFT functionalCBS Complete basis setCC Coupled clusterCCD CC with double excitationsCCD-R12CCD with linear r12termsCCSD(T)CC with singles and doubles and non-iterative triple excitationsCCSD(T)-R12CCSD(T)with linear r12termscc-pVXZ correlation-consistent polarized valence X-tuple zetacc-pCVXZ correlation-consistent polarized core–valence X-tuple zetaCI Configuration interactionDFT Density functional theoryDT Double-triple extrapolation¶Author to whom correspondence should be addressed.0953-4075/99/130103+28$30.00©1999IOP Publishing Ltd R103R104Topical reviewFC Frozen-core approximationFCI Full configuration interactionFull All electrons correlatedG1Gaussian-1model chemistryG2Gaussian-2model chemistryG3Gaussian-3model chemistryHLC Higher-level correctionMP2Second-order Møller–Plesset perturbation theoryMP2-R12MP2with linear r12termsMP4Fourth-order Møller–Plesset perturbation theoryNO Natural orbitalQCI Quadratic CIQCISD(T)QCI with singles and doubles and non-iterative triple excitationsSAPT Symmetry-adapted perturbation theorySCF Self-consistentfieldTQ Triple-quadruple extrapolationTZV Triple-zeta valence basis setVTZ Valence triple-zeta basis set1.IntroductionIt is well known that the expansion of the electronic wavefunction in orbital products(that is, in Slater determinants)converges frustratingly slowly towards the limit of a complete basis set. This slow convergence is a serious bottleneck for highly accurate calculations of the electronic structure of molecules as the computational costs grow much faster than the rate at which the accuracy is improved.Often,the error arising from the truncation of the atomic orbital (AO)basis is severe and the calculations needed to provide the desired accuracy may not be tractable on present-day computers.As a rule of thumb,the computational costs grow as the fourth power in the reduction of the basis-set truncation error.Thus,to gain one more decimal place in accuracy—that is,to reduce the error of the computed energy by a factor of ten—the computational effort must be increased by a factor of10000.It is obvious that there is a need for solutions to the slow convergence problem.Essentially, there are two approaches that one may take to solve this problem.Thefirst approach is concerned with extrapolations.The standard technique for accelerating the convergence of an infinite series is to develop an extrapolation based on the asymptotic form of the series.In this review,we shall discuss the most important such techniques used today—that is,extrapolations based on the partial-wave expansion,the natural orbital expansion and the principal expansion.In the second approach,one searches for(affordable)alternatives to the expansion in Slater determinants,using many-electron basis functions that depend explicitly on the coordinates of two electrons.Such‘explicitly correlated’methods are also discussed in this review,which is concluded with a comparison of the different approaches and computational techniques as applied to the computation of the total electronic ground-state energies of the20closed-shell molecules CH2(˜a1A1state),CH4,NH3,H2O,HF,C2H2,C2H4,HCN,HNC,N2,N2H2,CO, H2CO,HNO,H2O2,HOF,F2,CO2,O3and H2.Topical review R105 2.Errors in electronic structure calculationsOften,the truncation of the AO basis set is the most important source of error in electronic structure calculations.Nevertheless,we must also be concerned with other errors.As well as the one-electron space,the n-electron space of all Slater determinants that constitute the full configuration-interaction(FCI)wavefunction is also truncated.Truncation errors occur when this FCI wavefunction is approximated by a low-order perturbation theory approach,a truncated coupled-cluster expansion,or a truncated configuration-interaction wavefunction.In order to obtain highly accurate results,we must advance the electronic structure calculations as far as technically possible towards the limits of both a complete AO basis set and full configuration interaction.We may refer to this combined complete-basis-set/full-configuration-interaction limit as the focal point of electronic structure calculations(Cs´a sz´a r et al1998,Tarczay et al1999).Furthermore,most present-day electronic structure calculations are concerned with the non-relativistic Schr¨o dinger equation within the framework of the Born–Oppenheimer approximation.Under certain circumstances,however,the restriction to a non-relativistic theory or to clamped nuclei may lead to noticeable errors,and in such cases,it becomes necessary to account for relativistic or non-Born–Oppenheimer corrections(Cs´a sz´a r et al 1998,Tarczay et al1999),or to switch to a fully relativistic or non-adiabatic treatment.The focus of the present review is solely on the AO basis-set truncation error,which is illustrated by computations on small closed-shell molecules containingfirst-row atoms.For these calculations,the errors due to the non-relativistic and Born–Oppenheimer frameworks are of minor importance.3.Partial-wave expansion for atomsIn the early1960s(Schwartz1962,1963),it was found that,for the second-order energy of the 1/Z perturbation expansion of the ground state of two-electron atoms,the asymptotic formula (i.e.as and Z approach infinity)E(2)=−45256+12−4+2251024+12−6+ (1)represents the energy increments obtained by adding a saturated shell of AO basis functions of angular momentum to the AO basis set used to expand thefirst-order wavefunction (Kutzelnigg and Morgan1992a,b).From these increments,we can compute the total basis-set truncation error due to the omission of all basis functions of >L.In the limit where L approaches infinity,this error can be expressed asδE(2)L =−∞=L+1E(2)≈−∞=L+12E(2)=15256(L+1)−3−451024(L+1)−5+ (2)We note that,whereas the leading term to the energy increment is of the order −4,the leading term to the basis-set truncation error is of the order L−3.However,this asymptotic formula applies to the1S ground state of the He isoelectronic series;for other electron pairs, increments of the order −6(triplet pairs)or −8(pairs with unnatural parity)occur(Kutzelnigg and Morgan1992a,b).Another restriction is that(1)applies to the somewhat special1/Z perturbation theory;that is,a perturbation theory based on hydrogenic zero-order Hamiltonians and wavefunctions.For more general electronic-structure methods such as Møller–Plesset perturbation theory,coupled-cluster theory,or configuration–interaction(CI)wavefunctions,R106Topical reviewthe odd terms contribute to the energy increments as well (Carroll 1979,Hill 1985).Thus,CI calculations of the He ground state converge as E =−0.074226 +12 −4−0.030989 +12 −5+ (3)δE L =0.024742(L +1)−3+0.007747(L +1)−4+ (4)For atoms,it is common practice to extrapolate (using the known asymptotic formulae)the results obtained from finite partial-wave expansions to the limit of a complete AO basis (Byron and Joachain 1967,Sasaki and Yoshimine 1974,Lindgren and Salomonson 1980,Jankowksi and Malinowski 1980,Termath et al 1991,Mårtensson-Pendrill et al 1991,Flores 1992,Flores and Redondo 1993).For molecules,however,it seems that the partial-wave formulae cannot be applied.First,for molecules,the angular momentum is not a good quantum number.Secondly,molecular AO basis sets are usually not constructed in such a manner that function spaces of a given (atomic)angular-momentum quantum number are saturated before the next function space is added.In the next three sections,therefore,we discuss alternative expansions for molecules.Nevertheless,the partial-wave formulae have been applied successfully to polyatomic systems as well (Martin 1996,1997a–c,Martin and Taylor 1997,Wilson and Dunning 1997,Helgaker et al 1997b).When correlation-consistent basis sets of the type cc-pVXZ (Dunning 1989)are used,the highest angular momentum in the basis is L =X −1for H and He and L =X for Li–Ar.Therefore,Martin (1996,1997b)suggested to take the average value of ¯L =X −12;that is,to replace L by X −12in (4)for calculations on molecules containing both hydrogen and non-hydrogen atoms,and to fit functions such as E(X)≈E(∞)+a X +12 −4(5)E(X)≈E(∞)+b X +1 −4+c X +1 −6(6)E(X)≈E(∞)+d X +12 −e (7)to the molecular correlation energies obtained with cc-pVXZ basis sets.In (5)and (6),the X −3and X −5terms are omitted as it was found during the fitting that the X −4term dominates the truncation error,at least for the small X used in the study.For example,for the trial function(7),optimal values were found in the range 3.5<e <4.5(Martin and Taylor 1997).Recently,Halkier et al (1998)found that fits of the formE(X)≈E(∞)+a(X +δ)−α(8)all perform similarly for α≈δ+3.Of course,since a Taylor series expansion around δ=0yields(X +δ)−k =X −k −kδX −(k +1)+O (δ2)(9)the choice of δbecomes less important as more terms are included in the fitting procedure.A non-zero δmerely introduces higher-order terms.Thus,the simplest and most transparent approach is probably to set δ=0and use a polynomial to prescribed order in 1/X .In this spirit,Helgaker et al (1997b)advocated a simple two-point linear fit for the correlation energy based on the formE(X)≈E(∞)+aX −3.(10)With correlation energies available for the basis set X =A ,we can easily perform a calculation with the next smaller set (X =A −1)and carry out an extrapolation according to (Halkier et al 1998)E(∞)≈E(A)A 3−E(A −1)(A −1)3A 3−(A −1)3.(11)Topical review R107 We shall return to the convergence behaviour of correlation-consistent basis sets and related extrapolation schemes in section5.4.Natural orbital expansion and complete basis-set(CBS)extrapolationIn recent years,the CBS extrapolation has become a standard technique for accurate computations of molecular electronic energies.Various versions of this scheme,for example, have been implemented in the commercial computer program Gaussian94(Frisch et al1995) and thus become available to the majority of computational prehensive reviews of the CBS methods and assessments of their performance have been published recently (Ochterski et al1995,1996,Petersson et al1998).The interested reader is referred to these publications for details;in this section,we shall examine only the key ideas of the CBS extrapolation scheme and how it is related to other methods.We shall restrict our discussion to the most accurate member of the family;namely,the CBS-QCI/APNO(complete-basis-set–quadratic configuration-interaction/atomic-pair-natural-orbitals)method,which starts from standard QCISD(T)calculations(table1,Pople et al1987,Raghavachari et al1989).Being the most accurate member,it is also the most expensive one and can be applied only to molecules containing(a few)first-row atoms.CBS methods for larger molecules and heavier atoms exist (Ochterski et al1996),but in view of our interest in highly accurate methods,we shall not consider these variants of CBS here.In1981,Nyden and Petersson realized that,when developing extrapolation schemes for calculations on molecules,explicit reference to angular momentum must be avoided. Therefore,they studied the convergence of natural orbital(NO)expansions,defined for molecules as for atoms.For the ground state of the He atom,the AO set truncation error is inversely proportional to the number of NOs included in the full CI(FCI)wavefunction,when the orbitals are ordered according to monotonically decreasing occupation numbers(Nyden and Petersson 1981,Petersson and Nyden1981).In particular,it was found that the FCI energy computed from thefirst N NOs is well represented by the formulaE(N)≈E(∞)+Nµ=1Cµ225512(N+δ)−1(12)where,tofit the energies for small N,an empirical parameter(δ=0.363)was introduced. Note thatδdoes not alter the limit as N approaches infinity.The Cµare the coefficients of the NO expansion of the singlet ground state1N (1,2)=1 (1,2)Nµ=1Cµϕµ(1)ϕµ(2)(13)1 (1,2)=1√2{α(1)β(2)−β(1)α(2)}(14)whereϕµis an NO and1 (1,2)the usual two-electron singlet spinfunction.It turns out, however,that(12)is correct only for certain‘magic’N;namely,when shells of functions according to a principal quantum number n arefilled:N=1for1s,N=5for1s2s2p, N=14for1s2s2p3s3p3d shells of NOs,and so on.Thus,N must take the valuesN=1nn+1(n+1)n=1,2,3, (15)R108Topical reviewIn other words,since N is proportional to n 3,a possible interpretation of (12)is that it is essentially of the formE(n)=E(∞)+ Nµ=1C µ 2 an −3+bn −4+ (16)where n is the principal quantum number.The ‘interference factor’ N µ=1C µ 2,which can take on values between zero and one,is an important ingredient of CBS theory.Peterson and Nyden (1981)have interpreted this factor as being responsible for the fact that,when going from second-order (1/Z )perturbation theory to the infinite-order CI theory,the prefactor of the (L +1)−3terms decreases rapidly.For example,the prefactor in (4)is obtained by taking 42%of the prefactor in (2).In the modern CBS methods,a similar interference factor is computed from the coefficients of the first-order wavefunction of MP2theory.More precisely,individual interference factors are computed for all the ααand αβfirst-order pair functions.The interference factor,which implies that the MP2truncation errors are larger in absolute terms than those at higher levels,provides a recipe for estimating the errors of high-level methods from the corresponding MP2errors (Petersson and Licht 1981).Compared with high-level methods such as coupled-cluster theory,MP2calculations are inexpensive,and it appears promising to combine computations of the MP2truncation error with high-level calculations in finite basis sets (Klopper et al 1994,Klopper and L¨u thi 1996,1999).Unfortunately,since the MP2correction tends to overestimate the high-order errors (Martin 1997a),a direct addition of the full MP2truncation correction is not optimal.In the CBS-QCI/APNO method,each extrapolation for a single pair energy is scaled by an individual interference factor.However,an overall interference factor may be obtained by comparing the extrapolated but unscaled total MP2correlation energy with the sum of the scaled extrapolations for the pair energies.In table 1,which contains details of the CBS-QCI/APNO calculations at the CCSD(T)(full)/cc-pCVQZ geometries,these overall interference factors are listed.(With the notation (full)we indicate that all electrons have been correlated,as opposed to the frozen-core (FC)approximation.)We have compared the interference factors of table 1with similar factors obtained from R12calculations (cf section 7).The R12methods,which employ explicitly correlated two-electron basis functions,yield MP2and CCSD(T)energies (Purvis and Bartlett 1982,Raghavachari et al 1989,Bartlett 1995)very close to the basis-set limit.Thus,comparing MP2-R12and CCSD(T)-R12calculations with the finite basis-set MP2/APNO and CCSD(T)/APNO calculations,we can determine the ratio between the CCSD(T)and MP2truncation errors.This has been done for both approximations currently used in MP2-R12theory:the MP2-R12/A and MP2-R12/B approximations.The results for our 20molecules are depicted in figure 1.The agreement between the CBS and R12ratios is quite striking,in particular for the MP2-R12/A calculations.Let us now consider the CBS/APNO extrapolation to the MP2limit (Petersson et al 1985,1988,1991,Petersson and Braunstein 1985).For pairs of occupied αand βspin-orbitals (αβpairs)and for αα-type second-order pair energies,the extrapolations are based on the expressionsαβe (2)ij (N)=αβe (2)ij (∞)+αβf ij 25512(N +αβδij )−1(17)ααe (2)ij (N)=ααe (2)ij (∞)+ααf ij 25(N +ααδij )−5/3(18)Topical review R109Table 1.Individual contributions (in E h )to the CBS-QCI/APNO total energy (E CBS ).Thegeometries have been optimized at the CCSD(T)(full)/cc-pCVQZ level.MoleculeQCISD(T)a δE b SCF δE c MP2Int.d Emp.e Core f E CBS CH 2−39.06890.0−0.011055.9−0.0024−0.0528−39.1304CH 4−40.44650.0−0.014359.1−0.0033−0.0542−40.5125NH 3−56.48760.0−0.017762.5−0.0035−0.0576−56.5598H 2O−76.3542−0.0001−0.021266.8−0.0039−0.0597−76.4320HF−100.3665−0.0001−0.024071.8−0.0043−0.0632−100.4513C 2H 2−77.2023−0.0005−0.023559.5−0.0040−0.1079−77.3287C 2H 4−78.4541−0.0003−0.024960.1−0.0049−0.1080−78.5823HCN−93.2935−0.0006−0.025861.6−0.0042−0.1110−93.4253HNC−93.2699−0.0008−0.025662.2−0.0042−0.1109−93.4017N 2−109.3963−0.0009−0.028364.1−0.0044−0.1136−109.5333N 2H 2−110.5023−0.0006−0.031163.8−0.0053−0.1139−110.6418CO−113.1805−0.0009−0.027965.3−0.0046−0.1126−113.3168H 2CO−114.3604−0.0008−0.031465.1−0.0054−0.1131−114.5002HNO−130.3289−0.0010−0.034466.3−0.0055−0.1160−130.4742H 2O 2−151.3973−0.0007−0.040467.9−0.0068−0.1188−151.5510HOF−175.3805−0.0008−0.042570.3−0.0071−0.1220−175.5403F 2−199.3494−0.0009−0.044472.4−0.0075−0.1253−199.5151CO 2−188.3711−0.0018−0.048467.2−0.0077−0.1728−188.5859O 3−225.1905−0.0021−0.058568.0−0.0084−0.1769−225.4177H 2−1.17310.0−0.002347.6−0.00080.0−1.1750a [QCISD(T)–MP2](FC)/6-311++G(2df,p)+MP2(FC)/APNO.The APNO basis set is 6s6p3d2f for C,N,O,F and 4s2p1d for H.b Increment obtained from the CBS extrapolation to the Hartree–Fock limit.c Increment obtained from the CBS extrapolation to the MP2limit.This increment is weighted with the overall interference factor given in the next column.d Overall interference factor,( µC µ)2,given in per cent.e An empirical correction.f Core correlation obtained from CBS extrapolated MP2calculations using a 3s2p basis set for H and a 4s5p3d (Cartesian components)basis set for C,N,O,F.whereαβf ij =|S |2ijααf ij =2|S |2ij 1−|S |2ij 1+|S |2ij (19)and |S |ij =|ϕi (r )ϕj (r )|d r .(20)We emphasize that the αβand ααpairs of the spin-orbital CBS method do not represent spin-adapted singlet and triplet pairs;rather,the αβpair contributes to both singlet and triplet pairs.We also emphasize that |S |ij is the integral over the absolute value of the product of the occupied orbitals rather than the absolute value of the overlap integral.It requires a numerical integration.A formulation based on the overlap integral over the two charge distributions generated by the orbitals ϕi and ϕj ,which is easily computed analytically,is perhaps an alternative worth investigating.The purpose of the prefactors αβf ij and ααf ij is to damp the extrapolated truncation errors for spatially distant pairs of (localized)orbitals.However,their introduction makes the method less suited for accurate calculations of weak interactions.For example,in the He dimer with R He −He =5.6a 0,the CBS extrapolation does not contribute to the dispersion sinceR110Topical reviewFigure1.Ratio of CCSD(T)to MP2basis-set truncation errors,δE CCSD(T)/δE MP2,of the APNObasis parison of the ratio(i.e.interference factor)computed by the CBS-QCI/APNOmethod with the ratio obtained from R12calculations(cf section7).At the R12level,the CCSD(T)truncation error isδE CCSD(T)=CCSD(T)-R12/B−CCSD(T)/APNO,while the MP2truncationerror is eitherδE MP2=MP2-R12/A−MP2/APNO(•)orδE MP2=MP2-R12/B−MP2/APNO( ).The dotted line is a straight line with slope one through the origin.the f ij factors tend to zero for the interatomic pairs.Although CBS extrapolations appear to be useful when bond functions are used(i.e.basis functions placed halfway between the atoms,cf Montgomery et al(1989)),we note that the standard CBS-QCI/APNO method—as implemented in the Gaussian94program—estimates the second-order basis-set truncation error for the He dimer to−5.534m E h,exactly twice that of the He atom.Still,Rablen et al(1998)have obtained useful CBS interaction energies for the hydrogen bond in the water dimer.Indeed,at afixed dimer geometry(Klopper et al1999),the two-body MP2(FC) interaction energy is extrapolated by CBS to−20.6kJ mol−1,which compares well with the best estimate for the MP2(FC)basis-set limit of−20.9kJ mol−1(Klopper and L¨u thi1999, Klopper et al1999).In contrast,the standard,unextrapolated MP2(FC)/APNO interaction is only−19.7kJ mol−1.In equations(17)and(18),αβe(2)ij (∞)andαβδij,which constitute thefitting parameters,are obtained from two-pointfits.Thefirst point is chosen as N=1;that is,as the Hartree–Fock calculation,for whichαβe(2)ij(1)=0.A prescribed range of N values is then tried for thesecond point,each time computing the corresponding pair energyαβe(2)ij(N).For each N,thetwo equations are solved for the two unknowns and the most negativeαβe(2)ij (∞)is taken asthefinal,extrapolated second-order pair energy.The same procedure is followed for theααpairs.The extrapolated second-order corrections for the truncation error are shown in table1 (δE MP2),along with the Hartree–Fock corrections(δE SCF)(Petersson and Braunstein1985, Petersson et al1988).As discussed previously,to obtain the infinite-order corrections,theTopical reviewR111second-order corrections are scaled by the interference factorsδe (∞)ij =N virt +1 µij =1c (1)µij 2δe (2)ij (21)computed from the first-order wavefunction.The CBS-QCI/APNO method also includes an empirical correction (Montgomery et al 1994),δE emp =−0.00174n β i =1 N virt +1 µii =1c (1)µii2|S αβ|2ii (22)where |S αβ|2ii is the absolute overlap integral,|S αβ|2ii = |ϕαi (r )ϕβi (r )|d r (23)over the most similar αand βorbitals (Petersson and Al-Laham 1991).In equation (22),n βis the number of βorbitals,which is taken to be smaller than the number of αorbitals.For closed-shell molecules,n βis the number of doubly occupied orbitals and |S αβ|2ii =1for all ϕi .The empirical correction is also listed in table 1.Unlike the empirical corrections of the G1and G2methods discussed in section 6,the CBS correction is a smooth function of the geometry,thus contributing to the whole potential energy hypersurface of a molecule.Furthermore,a correction for core–core and core–valence correlation effects is computed at the MP2level from CBS extrapolations with appropriate basis sets (table 1).Finally,there also exists a correction for spin contamination (Ochterski et al 1996),but this correction is unimportant for the present calculations on closed-shell molecules.A comparison of the CBS-QCI/APNO method with other accurate methods is presented in section 8.For the purpose of this comparison,all CBS calculations presented here have been performed at the CCSD(T)(full)/cc-pCVQZ optimized geometries.This is not the way that CBS calculations are usually carried out,however.Most often,the CBS methods are employed within the framework of model chemistries,which include well defined procedures for obtaining geometries,vibrational (harmonic)frequencies and finite-temperature corrections.5.The principal expansion and correlation-consistent basis setsThe successive addition of complete shells of functions that belong to a given angular-momentum quantum number is not the only systematic way to improve AO basis sets for correlated calculations.Quite the contrary,the addition of (nearly)complete -shells (that is,the partial-wave expansion)does not seem a practical approach for calculations of molecular electronic structure.Rather than using the quantum number for defining systematic sequences of AO basis sets,we may use the principal quantum number n .We shall refer to this approach as the ‘principal expansion’.For n =1,there is only one AO (1s),for n =2,there are five AOs (1s2s2p),for n =3,there are 14AOs (1s2s2p3s3p3d),and so on.We assume that the individual sets of 1,5,14,...,functions have been fully optimized,thereby defining a systematic expansion (figure 2).This principal expansion is closely related to the way that AO basis sets are usually applied in numerical quantum chemistry.In practice,the choice implies that those basis functions are added first that contribute most to the correlation energy.The correlation-consistent basis sets of Dunning (1989)represent systematic sequences of AO sets that resemble closely the principal expansion.The basis sets are denoted cc-pVXZR112Topical reviewFigure2.Principal and partial-wave expansions of the He ground state wavefunction.for‘correlation-consistent polarized valence X-tuple zeta’,where the‘cardinal number’X takes on the values X=D,T,Q,5,6,....For H or He,a given cc-pVXZ basis set has the same composition as the principal basis set with n=X.For example,the cc-pVQZ basis set (X=4)contains the functions:4s3p2d1f.Forfirst-row atoms,we identify n with X+1.Thefirst investigations of the convergence of the correlation-consistent basis sets were carried out by Feller(1992,1993),using the formE(X)=E(∞)+a exp(−bX)(24) forfitting computed energies and extrapolations of the basis-set limit.Even though the exponentialfit appears to be successful for relatively small X(Feller and Peterson1998), the assumption of linear convergence(i.e.the exponential form)is not physically motivated and is too optimistic.For large X,it becomes important to account for the slow convergence of the computed correlation energy,which,as we shall shortly see,converges as X−3.For the ground state of the He atom,the energy contribution of an NO orbital is proportional to the inverse sixth power of its principal quantum number n(Bunge1970).Indeed,for large n, Carroll et al(1979)found that the energy increments of the NOs are remarkably well described byE n m≈−An−12−6(25)withA =A0≈0.24if =0A ≈0.21otherwise.(26)The observation that the NO orbital increments are proportional to n−6is a strong motivation for the development of systematic sequences of basis sets,where the level of hierarchy is determined by the principal quantum number.Examples of such systematic basis sets are the correlation-consistent(Dunning1989,Kendall et al1992,Woon and Dunning1993,1994,。

2016-team

2016-team

S.-T.Yau College Student Mathematics Contests 2016Analysis and Differential EquationsTeamPlease solve 5out of the following 6problems.1.Let D ⊂R d ,d ≥2be a compact convex set with smooth boundary ∂D so that the origin belongs to the interior of D .For every x ∈∂D let α(x )∈(0,∞)be the angle between the position vector x of the outer normal vector n (x ).Let ωd be the surface area of the unit sphere in R d .Compute:1ωd ∫∂D cos(α(x ))|x |d −1dσ(x )where dσdenotes the surface measure on ∂D .2.Let p >0and suppose f n ,f ∈L p [0,1]and ||f n −f ||p =(∫10|f n (x )−f (x )|p dx )1p →0as n →∞.a)Show that for every ϵ>0,lim n →∞m ({x ∈[0,1]||f n (x )−f (x )|>ϵ})=0.Here m is the Lebesgue measure.b)Show that there exists a subsequence f n j such that f n j (x )→f (x )for almost every x ∈[0,1].3.1)Let f be a holomorphic function on the unit disk D ={z ∈C ||z |<1}except 0.Assume f ∈L 2(D ),i.e.∫D |f (z )|2dzd ¯z <∞,then 0is a removable singularity.2)Let f n be a sequence of holomorphic functions over a domain Ω⊂C converging to f uniformly on any compact subset of Ω,does the sequence of its derivatives f ′n also have this property?4.Consider the torus T 2=C /Λ,Λ={m +in |m,n ∈Z },i.e.z 1,z 2∈C are equivalent if and only if there are integers m,n such that z 2=z 1+m +in and T 2are the space of equivalent classes.Show that the group of holomorphic automorphisms of T 2is SL (2,Z )of 2x 2integer matrices of determinant 1.5.Let {e n }be an orth-normal basis of l 2of square integrable functions over a circle.Let A :l 2→l 2,Ae 1=0,Ae n =e n −1n −1,n >1be a linear operator.Show that A is an compact operator and A has no eigenvectors.What are the spectrum of A ?6.If M =[0,1]is the unit interval,the heat kernel on M can be writtenp (x,y,t )=Σk ϕk (x )ϕk (y )e λk t ,where {λk }is an enumeration of the eigenvalues of the ∆=d 22on M and {ϕk }arethe corresponding eigenfunctions which vanish on ∂M .12i)Calculate{λk}and the corresponding eigenfunctions.ii)Prove that|p(x,y,t)|≤Ct−1/2,for all x,y,and0<t<1.iii)What is the exponential rate of decay of p(x,y,t)as t→∞,pute:limlog(p(x,y,t)).t→∞S.-T.Yau College Student Mathematics Contests 2016Probability and StatisticsTeam (5problems)Problem 1.For a random walk process on the complete infinite binary tree (see Fig1.)starting from root (i.e.level 0),we assume that the object moves to the neighbor nodes with equal probability.Let X n denote the level number at time =n .Please prove thatE X n ≤1/3n +4/3Fig 1.Problem 2.The goal is to show the concentration inequality for the median of mean estimator.We divide the problem into three simple steps.1.Let X be a random variable with E X =µ<∞and Var(X )=σ2<∞.Suppose we have m i.i.d.random samples {X i }m i =1.Let ˆµm =1m m i =1X i from X .Show that P | µm −µ|≥2σ m ≤14.2.Given k i.i.d.Bernoulli random variables {B j }k j =1with E B j =p <e themoment generating function of B j ,i.e.,E (exp(tB j )),to show thatP 1k k j =1B j ≥12≤(4p (1−p ))k 2.3.Suppose we have n i.i.d.random samples {X i }n i =1from a population with mean µand variance σ2.For any positive integer k ,we randomly and uniformly divide all the samples into k subsamples,each having size m =n/k (for simplicity,we assume n is always divisible by k ).Let µj be the sample average of the j thsubsample and m be the median of { µj }k j =1.Apply the previous two results to show that P | m −µ|≥2σ k n ≤ √32 k .Hint:Consider the Bernoulli random variable B j =1{| µj −µ|≥2σ k n }for j =1,...,k .Problem 3.(a)Let N ≥2be an integer,and let X be a random variable takingvalues in {0,1,2,...}such that P {X ≡k (mod N )}=1for all k ∈{0,1,...,N −1}.Compute E (e i (2πm )X/N )(with i =√−1)for all integers m ≥1.(b)A game for N players (numbered as 0,1,2,...,N −1)is as follows:Each player independently shows a random number of fingers (uniformly chosen from {0,1,2,3,4,5});if S denotes the total number of fingers shown,then the player number S mod N is de-clared to be the winner of the game.Find all N such that the players have equal chance to win the game.Problem 4.Let X 1,X 2,...be independent and identically distributed real-valued random variables.Prove or disprove:If lim sup n →∞|X n |n ≤1almost surely,then ∞n =1P (|X n |≥n )<∞.Problem 5.Choose,at random,2016points on the circle x 2+y 2=1.Interpret them as cuts that divide the circle into pute the expected length of the arc that contains the point (1,0).How about the variance.S.-T.Yau College Student Mathematics Contests2016Geometry and TopologyTeamPlease solve5out of the following6problems.1.Show that CP2n does not cover any manifold except itself.2.Let X be a topological space and p∈X.The reduced suspensionΣX of X is the space obtained from X×[0,1]by contracting(X×{0,1})∪({p}×[0,1])to a point. Describe the relation between the homology groups of X andΣX.3.State and prove the Frobenius Theorem on a differentiable manifold.4.Show that all geodesics on the sphere S n are precisely the great circles.5.Let M be an n-dimensional Riemannian manifold.Denote by R and K M the cur-vature tensor and sectional curvature of M.If a≤K M≤b at a point x∈M,then,atthis point,R(e1,e2,e3,e4)≤23(b−a)for all orthonormal four-frames{e1,e2,e3,e4}⊂T x M.6.Let M be a closed minimal hypersurface with constant scalar curvature in S n+1. Denote by S the squared length of the second fundamental form of M.Show that S=0,or S≥n.1S.-T.Yau College Student Mathematics Contests2016Algebra and Number TheoryTeamThis test has5problems and is worth100points.Carefully justify your answers. Problem1(20points).Find all real orthogonal2×2matrices k with the following property:There is an upper triangular2×2real matrix b with all diagonal entries being positive numbers such that kb is a positive definite symmetric matrix. Problem2(20points).For x∈Z and k≥0,define the binomial coefficientsxk=x(x−1)···(x−k+1)k!,x=1.(a)(6points)Show that x∈Z=⇒xk∈Z.(b)(6points)Show that every function f:Z≥0→Z can be expressed as f(x)=∞k=0a kxk,where a k∈Z are uniquely determined by f.(c)(8points)Defineφk(x)=x+ k/2k.Show that every function f:Z→Z can be expressed as f(x)= ∞k=0a kφk(x), where a k∈Z are uniquely determined by f.Problem3(20points).Let K be the splittingfield of the polynomialx4−x2−1.(a)(10points)Show that the Galois group of K over Q is isomorphic to thedihedral group D4.Here we adopt the convention that D4is the group of symmetries of a square and has order8.(b)(10points)Determine the lattice of subfields of K:Find all subfields of Kand describe the partial order induced by inclusion.Problem4(20points).Let G be a(not necessarilyfinite)group and let F be a field of characteristic=2.Let V=0be an indecomposablefinite-dimensional linear representation of G over F.Let R=End F(V)G be the ring of G-equivariant endomorphisms of V.(a)(5points)Prove the following form of Fitting’s lemma:Every element of R iseither invertible or nilpotent.(b)(5points)Deduce that the set I⊆R of non-invertible elements is a two-sidedideal and the quotient R/I is a division algebra over F.(c)(5points)We say that V is orthogonal if there exists a G-invariant nonde-generate symmetric bilinear form on V.We say that V is symplectic if there exists a G-invariant nondegenerate alternating bilinear form on V.Deduce that if there exists a G-invariant nondegenerate bilinear form on V,then V is orthogonal or symplectic.(d)(5points)Assume that F is algebraically closed.Deduce from(b)that Vcannot be both orthogonal and symplectic.Problem5(20points).(a)(5points)Let G be afinite group.Let x1,...,x h be representatives of the con-jugacy classes of G.Let n i=#Cent G(x i)be the cardinality of the centralizer of x i.Prove the identity1=hi=11n i.(b)(10points)Deduce that for any integer h≥1,there exist onlyfinitely manyisomorphism classes offinite groups with exactly h conjugacy classes.(c)(5points)Find all thefinite groups with exactly3conjugacy classes.S.-T.Yau College Student Mathematics Contests 2016Applied Math.and Computational Math.Team (5problems)Problem 1.For solving the following partial differential equation(1)u t +u x =0,−∞≤x ≤∞with compactly supported initial condition,we consider the following one-step,three-point scheme on a uniform mesh x j =j ∆x with spatial mesh size ∆x :(2)u n +1j =au n j +bu n j −1+cu n j −2,j =···,−1,0,1,···where a ,b ,c are constants which may depend on the mesh ratio λ=∆t ∆x .Here ∆t is the time step,and u n j approximates the exact solution at u (x j ,t n )with t n =n ∆t .(1)Find the constants a ,b ,c such that the scheme (2)is second order accurate.(2)Find the CFL number λ0such that the scheme (2),with the constants deter-mined by the step above,is stable in L 2under the time step restriction λ≤λ0.(3)If the PDE (1)is defined on (0,∞)with an initial condition compactly sup-ported in (0,∞)and a boundary condition u (0,t )=g (t ),how would you modify the scheme (2)so that it can be applied?Can you prove the stability and ac-curacy of your modified scheme?Problem 2.Inverse problem.Answer the famous Mark Kac’s equation:“can you hear the shape of drum?”for the special case.Consider the one-dimensional oscillator ¨x =−u (x )with symmetric potential u (−x )=u (x ),u (0)=u (0)=0,u (x )>0for x >0,lim x →∞u (x )=∞.Denote the inverse function of y =u (x ),x ≥0as x =u −1(y )=φ(y ).(a)For any solution x (t ),show there is a conservation of energy˙x 2(t )2+u (x (t ))≡e where e is a constant.(b)For any energy e >0,find a periodic solution with total energy e .Show that theperiod is given byP (e )=2√2 x max 0dx e −u (x ),x max =φ(e )>0.(c)Show thatφ(z )=12π√2 z 0P (e )de √z −e .(d)In the case of iso-chronous P (e )≡2π,show that φ(z )=√2z .Then you haveu (x )=12x 2,x (t )=a cos(t )+b sin(t ),the famous harmonic oscillator.12Problem3.The following statement informally means that if a system of homoge-neous equations with integer coefficients has a nontrivial solution then it has an integer solutions with reasonably small components.It is required in many applications.Let A=(a ij)m,ni,j=1be an m×n matrix of rank r≤n−1with integer entries of size atmost H,that is,|a ij|≤H,1≤i≤m,1≤j≤n.Prove that there is an integer non-zero vector x=(x1,...,x n)∈Z n such that A x=0 andx ∞≤(2nH)n−1where x ∞=max1≤i≤n|x i|.Problem4.This problem considers an iterative schemex k+1=x k+βk p kfor the linear system Ax=b,where A∈R n×n is a given n×n non-singular matrix and b∈R n is a given vector.In the above scheme,x k denotes the approximate solution at the k-th iteration,βk is a scalar and p k∈R n is a search direction.If x k is given,the above scheme will determine x k+1so that the residual r k+1:=b−Ax k+1is the smallest possible with respect to the2-norm.(1)Determineβk.(2)Prove that the residual r k+1is orthogonal to Ap k with respect to the usualinner-product.(3)Prove that the residuals satisfyr k+1 ≤ r k sin(α)whereαis the angle between r k and Ap k,and · denotes the2-norm.(4)Assume that the inner product of r k and Ap k is non-zero.Will the above schemealways converge?(5)Assume that A is positive definite.We take the search direction p k=r k.Showthat the above scheme converges for any initial guess x0.Problem5.Let f:R n→R be convex and in C1.Suppose f has a local minimum x∗.(1)Must this local minimum x∗be a global minimum?(2)Consider the following backward gradient method:starting from any x0∈R n,definex k=x k−1−t∇f(x k),k≥1,where t>0is afixed step size.Do you need any condition on t to guarantee {f(x k)}converge?Prove your convergence argument,if{f(x k)}converges.(3)Suppose f is strongly convex,that is,∃m>0such that ∇f(x)−∇f(y),x−y ≥m x−y 2.Under this additional condition,show that{x k}converges.。

Second-Order Corrections to the Power Spectrum in the Slow-Roll Expansion with a Time-Depen

Second-Order Corrections to the Power Spectrum in the Slow-Roll Expansion with a Time-Depen
hep-th/0409130
Second-Order Corrections to the Power Spectrum in the Slow-Roll Expansion with a Time-Dependent Sound Speed
arXiv:hep-th/0409130v3 3 Nov 2004
Hao Wei
1,2 ∗
, Rong-Gen Cai
1,3 †
and Anzhong Wang
3‡
3
Institute of Theoretical Physics, Chinese Academy of Sciences, P.O. Box 2735, Beijing 100080, China 2 The Graduate School of the Chinese Academy of Sciences CASPER, Department of Physics, Baylor University, Waco, TX76798-7316, USA
2
2.1
Preliminaries
Basics
Our starting point is the following effective action during inflation [10], S= √ 1 d4 x −g − R + p(ϕ, X ) 2 (2.1)
where g is the determinant of the metric, R is the Ricci scalar, ϕ denotes a scalar field and X= 1 µν g ∂µ ϕ∂ν ϕ, 2 1 (2.2)
is its kinetic term. The Lagrangian p plays the role of pressure and the energy density is given by ρ = 2Xp,X − p. (2.3)
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2
抛物型方程通常的时间二阶精度 CN 有限元格式的回顾及瞬像的生成
设 Ω ⊂ R2 是有界的连通多角形区域. 考虑下面的抛物型方程. 问题 I 求 u 使得
u − t u = f, (x, y, t) ∈ Ω × (0, T ), (2.1)
u(x, y, t) = ϕ(x, y, t), (x, y, t) ∈ ∂ Ω × [0, T ), u(x, y, 0) = ψ (x, y ), (x, y ) ∈ Ω,
关键词 特征正交分解 Crank-Nicolson 有限元格式 65N30, 35Q10 误差分析 抛物型方程 MSC (2000) 主题分类
1
引言
抛物型方程是一类描述物理量随时间而扩散或衰减的偏微分方程, 有许多实际的应用背景. 例如, 自然环境、工程设备及生物机体中的气体的扩散、液体的渗透、热的传导以及半导体材料中杂质的 扩散等许多物理现象都可用抛物方程来描述. 对于描述实际问题的抛物型方程, 由于物理问题本身的 复杂性, 其精确解往往不容易求得, 有效的方法是求其数值解. 时间二阶精度 Crank-Nicolson (简记为 CN) 有限元格式是求解抛物型方程最有效的方法之一 [1, 2] , 然而, 抛物型方程通常的 CN 有限元格式 的自由度太多, 对于实际计算会产生很多困难. 因此, 重要的问题是在保证其数值解具有足够高精度 的情况下, 如何简化计算、 节省计算量及降低内存要求. 特征正交分解 (proper orthogonal decomposition, 简记为 POD) 方法能提供具有足够高精度而自 由度又较少的低维模型, 从而简化计算、节省计算时间和内存 [3] . 在信号分析和样本识别中, 称该方 法为 Karhunen–Lo` eve 展开 [4] ; 在统计学中, 称该方法为主分量分析 [5] ; 在地球物理的流体动力学和气 象学中, 称该方法为经验正交函数方法 [5, 6] . POD 方法主要提供一种有效逼近大量数据的工具, 其实
(3.1)
L l 并称 V 为由瞬像 {Ui }L i=1 张成的空间, 其中 {Ui }i=1 至少有一个非零元. 记 l = dim V , 并用 {ψj }j =1 表示 l 维数空间 V 的标准正交基, 则有 l
Ui =
罗振东等: 抛物型方程基于 POD 方法的时间二阶精度 CN 有限元降维格式
质是在最小二乘意义下寻找能代表已知数据的一组正交基, 即一种求已知数据的最优逼近方法. POD 方法与某些偏微分方程数值解法相结合, 能将无限维的微分方程降成低维模型, 以至能极大地减少计 算量和降低内存要求. 虽然 POD 方法已有广泛的应用, 但是最初主要是用于统计计算和流体动力学的主分量分析或寻 找动力系统的主要特征量 [3−15] . 直到最近十年, 才有将 POD 方法用于对偏微分方程的 Galerkin 方 法做简化处理的报道 [16, 17] . 近年来, 我们的研究小组将 POD 方法用于对有限差分方法和有限元方法 做降维处理的研究, 给出了赤道太平洋模式、非定常的 Burgers 方程、非定常的 Navier-Stokes 方程、 非定常的热传导 - 对流方程、 非定常的化学蒸汽沉淀方程、 抛物型方程基于 POD 方法的降维差分格 式和有限元格式, 但这些格式的时间导数都是用一阶精度的差商离散, 时间精度较低 [18−31] . 据我们所知, 到目前为止, 对抛物型方程只给出了基于 POD 方法的时间一阶精度的向后一步的 简化有限元格式 [24] , 还没有用 POD 方法对抛物型方程通常的时间二阶精度 CN 有限元格式做降维 的报道. 因此, 本文将 POD 方法应用于抛物型方程通常的时间二阶精度 CN 有限元格式, 简化其成维 数很低的时间二阶精度 CN 有限元格式, 并给出简化的时间二阶精度 CN 有限元解的误差分析. 最后, 用数值例子验证: 在简化的时间二阶精度 CN 有限元解和通常的时间二阶精度 CN 有限元解之间的误 差足够小的情况下, 简化的时间二阶精度 CN 有限元格式比通常的时间二阶精度 CN 有限元格式节省 大量自由度, 从而表明简化的时间二阶精度 CN 有限元格式用于求解类似于抛物型方程的时间依赖方 程是很有效的. 虽然我们已经用 POD 方法对抛物型问题的时间向后一步的 Euler 有限元格式做了降 维的处理, 效果很好 [24] , 但是本文的基于 POD 方法简化的时间二阶精度 CN 有限元格式的时间步长 可以比时间一阶精度格式取大 10 倍, 以至能更快计算到所关心时刻数值解, 减少计算机的截断误差, 提高计算效率和计算精度, 因此, 本文的基于 POD 方法简化的时间二阶精度 CN 有限元格式有更广 泛的应用前景, 是对现有方法的改进和创新. 本文的安排如下, 第 2 节回顾抛物型方程已有的时间二阶精度 CN 有限元格式, 第 3 节详细给出 POD 方法的理论及抛物型方程基于 POD 方法简化的时间二阶精度 CN 有限元格式, 第 4 节讨论抛 物型方程基于 POD 方法简化的时间二阶精度 CN 有限元格式的收敛性, 第 5 节用数值例子说明在简 化的时间二阶精度 CN 降维 POD 有限元格式的优越性, 第 6 节叙述我们的结论以及一些展望.
Xh = {vh ∈ X ∩ C 0 (Ω); vh |K ∈ Pm (K ), ∀ K ∈
h },
其中 m 1, Pm (K ) 是 K 上次数不超过 m 的多项式空间. 记 un = u(x, y, tn ), 用 un h 表示 u 的全离散 逼近, 则问题 II 的时间二阶精度的 CN 全离散化格式为 n N, 问题 III 求 un h ∈ Xh 使得对于 1 (un , vh ) + τ a(un , vh ) = − τ a(un−1 , vh ) + (un−1 , vh ) + τ (f (tn ) + f (tn−1 ), vh ), ∀ vh ∈ Xh , h h h h 2 2 2 (2.3) u0 (x, y ) = 0, ( x, y ) ∈ Ω . h 对于问题 III, 有下面熟知的结论 [1, 2] . m+1 定理 1 当 f ∈ L2 (Ω) 时, 问题 III 存在唯一的解 un (Ω) h ∈ Xh , 并且当问题 II 的解满足 ut ∈ H 2 和 utt ∈ L (Ω) 时, 有下列的误差估计,
3
POD 基的生成和基于 POD 方法的简化有限元格式
ni i 对于上节抽取的瞬像 un h (x, y ) (i = 1, 2, . . . , L), 令 Ui (x, y ) = uh (x, y ) (i = 1, 2, . . . , L) 和
V = span{U1 , U2 , . . . , UL },
英文引用格式: Luo Z D, Chen J, Xie Z H, et al. A reduced second-order time accurate finite element formulation based on POD
for parabolic equations (in Chinese). Sci Sin Math, 2011, 41(5): 447–460, doi: 10.1360/012010-614
[32] 1 . 令 X = H0 (Ω), 则问题 I 的变分形式为
中国科学 : 数学 第 41 卷 第 5 期
问题 II
求 u ∈ X 使得对于所有的 t ∈ (0, T ), u 满足 (ut , v ) + (∇u, ∇v ) = (f, v ), ∀ v ∈ X, u(x, y, 0) = 0, (x, y ) ∈ Ω,
其中 u 是未知函数, T 为最大的时间限, f 是已知的源函数, ϕ(x, y, t) 和 ψ (x, y ) 是给定的函数. 为了 便于理论分析, 不失一般性, 我们在下面的理论分析中, 假定 ϕ(x, y, t) = ψ (x, y ) = 0. 本文用到的 Sobolev 空间是熟知的
448
un − un h
0
C (hm+1 + τ 2 ),
1
n
N,
(2.4)
其中这里和下文用到的 C 表示与 h 和 τ 无关的常数. N 这样, 只要给定 f 和时间步长 τ 及空间步长 h, 解问题 III 就可以得到解的集合 {un h }n=1 . 从中取 i L (一般 L N , 例如, L = 20, N = 200) 个样本点 un n1 < n2 < · · · < nL N ), 在 POD h (x, y ) (1 方法中, 这些样本点称为瞬像. 附注 1 在对实际问题计算时, 瞬像集合可以从实际物理过程抽取样本点, 通过插值 (或资料同 化) 得到. 例如, 在解数值天气预报方程时, 可以利用以前的天气结果来构成瞬像集合, 再通过下面的 POD 方法重构瞬像集合元素得到最优 POD 基. 然后用最优 POD 基张成的子空间代替有限元空间 Xh , 将数值天气预报方程降成维数很低的全离散化代数方程, 从而可以快速模拟出未来的天气变化情 况, 对未来的天气变化做出快捷预报. 这对实际应用有重要的价值.
(2.2)
其中 (·, ·) 表示 L2 - 内积. 变分问题 II 的解的存在唯一性是熟知的 [1, 2] . 为了求问题 II 的数值解, 用时间二阶精度 CN 有 限元方法去离散问题 II. 设 N 为正整数, 时间步长取为 τ = T /N , tn = nτ (0 n N ). 再设 h 是 ¯ 的拟一致三角形剖分 [1, 2, 33] , 则空间 X 的有限元空间可取为 Ω
中国科学 : 数学
2011 年 第 41 卷
第 5 期 : 447 ∼ 460


抛物型方程基于 POD 方法的时间二阶精度 CN 有限元降维格式
罗振东xy , 陈静z∗ , 谢正辉{ , 安静y , 孙萍y
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