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4418 مرتبه مشاهده شده
Monte Carlo methods in ab initio quantum chemistry
Hammond, B. L.
- ISBN:9810203217
- ISBN:9810203225
- Call Number : QD 462 .H29 1994
- Main Entry: Hammond, B. L.
- Title:Monte Carlo methods in ab initio quantum chemistry [electronic resource] / B. L. Hammond, W. A. Lester, Jr., P. J. Reynolds.
- Publisher:Singapore : World Scientific, 1994.
- Physical Description:xiv, 304 p. : ill. ; 23 cm
- Series:World scientific lecture and course notes in chemistry; v. 1
- Notes:Includes bibliographical references
- Subject:Quantum chemistry.
- Subject:Monte Carlo method.
- Added Entry:Lester, W. A.
- Added Entry:Reynolds, Peter J (Peter James)
- Contents
- Preface
- Chapter 1 Introduction to Monte Carlo Methods
- Chapter 2 Variational Methods
- Chapter 3 Green's Function Methods
- Chapter 4 Treating Fermions
- Chapter 5 Variational Trial Functions
- Chapter 6 Excited States
- Chapter 7 Electronic Properties
- Chapter 8 Derivatives and Finite Differences
- Chapter 9 Heavy Atoms
- Appendix A Atomic Units
- Appendix B Evaluating the Trial Function
- Appendix C Sample Diffusion Monte Carlo Program
- Appendix D Bibliography