分子模拟入门(第2版)
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九品
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作者[荷兰]弗兰科尔 著
出版社世界图书出版公司
出版时间2010-08
版次2
装帧平装
货号A3
上书时间2024-12-09
商品详情
- 品相描述:九品
图书标准信息
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作者
[荷兰]弗兰科尔 著
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出版社
世界图书出版公司
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出版时间
2010-08
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版次
2
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ISBN
9787510023996
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定价
69.00元
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装帧
平装
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开本
24开
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纸张
胶版纸
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页数
638页
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正文语种
英语
- 【内容简介】
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Whydidwewriteasecondedition?Aminorrevisionofthefirsteditionwouldhavebeenadequatetocorrectthe(admittedlymany)typographicalmistakes.However,manyofthenicecommentsthatwereceivedfromstu-dentsandcolleaguesalike,endedwitharemarkofthetype:"unfortunately,youdontdiscusstopicx".
- 【目录】
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PrefacetotheSecondEdition
Preface
ListofSymbols
1Introduction
Part1Basics
2StatisticalMechanics
2.1EntropyandTemperature
2.2ClassicalStatisticalMechanics
2.2.1Ergodicity
2.3QuestionsandExercises
3MonteCarloSimulations
3.1TheMonteCarloMethod
3.1.1ImportanceSampling
3.1.2TheMetropolisMethod
3.2ABasicMonteCarloAlgorithm
3.2.1TheAlgorithm
3.2.2TechnicalDetails
3.2.3DetailedBalanceversusBalance
3.3TrialMoves
3.3.1TranslationalMoves
3.3.2OrientationalMoves
3.4Applications
3.5QuestionsandExercises
4MolecularDynamicsSimulations
4.1MolecularDynamics:TheIdea
4.2MolecularDynamics:AProgram
4.2.1Initialization
4.2.2TheForceCalculation
4.2.3IntegratingtheEquationsofMotion
4.3EquationsofMotion
4.3.1OtherAlgorithms
4.3.2Higher-OrderSchemes
4.3.3LiouviUeFormulationofTime-ReversibleAlgorithms
4.3.4LyapunovInstability
4.3.5OneMoreWaytoLookattheVerletAlgorithm
4.4ComputerExperiments
4.4.1Diffusion
4.4.2Order-AlgorithmtoMeasureCorrelations
4.5SomeApplications
4.6QuestionsandExercises
Part2Ensembles
5MonteCarloSimulationsinVariousEnsembles
5.1GeneralApproach
5.2CanonicalEnsemble
5.2.1MonteCarloSimulations
5.2.2JustificationoftheAlgorithm
5.3MicrocanonicalMonteCarlo
5.4Isobaric-IsothermalEnsemble
5.4.1StatisticalMechanicalBasis
5.4.2MonteCarloSimulations
5.4.3Applications
5.5Isotension-IsothermalEnsemble
5.6Grand-CanonicalEnsemble
5.6.1StatisticalMechanicalBasis
5.6.2MonteCarloSimulations
5.6.3JustificationoftheAlgorithm
5.6.4Applications
5.7QuestionsandExercises
6MolecularDynamicsinVariousEnsembles
6.1MolecularDynamicsatConstantTemperature
6.1.1TheAndersenThermostat4
6.1.2NosHooverThermostat
……
Part3FreeEnergiesandPhaseEquilibria
Part4AdvancedTechniques
Part5Appendices
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