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Monte Carlo methods in ab initio quantum chemistry /
This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab i...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore ; River Edge, NJ :
World Scientific,
©1994.
|
| Colección: | World scientific lecture and course notes in chemistry ;
v. 1. |
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 100 | 1 | |a Hammond, B. L. | |
| 245 | 1 | 0 | |a Monte Carlo methods in ab initio quantum chemistry / |c B.L. Hammond, W.A. Lester, Jr., P.J. Reynolds. |
| 260 | |a Singapore ; |a River Edge, NJ : |b World Scientific, |c ©1994. | ||
| 300 | |a 1 online resource (xiv, 304 pages) : |b illustrations | ||
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| 490 | 1 | |a World scientific lecture and course notes in chemistry ; |v v. 1 | |
| 504 | |a Includes bibliographical references (pages 287-304). | ||
| 505 | 0 | |a 1. Introduction to Monte Carlo Methods -- 2. Variational Methods -- 3. Green's Function Methods -- 4. Treating Fermions -- 5. Variational Trial Functions -- 6. Excited States -- 7. Electronic Properties -- 8. Derivatives and Finite Differences -- 9. Heavy Atoms -- A: Atomic Units -- B: Evaluating the Trial Function -- C: Sample Diffusion Monte Carlo Program. | |
| 588 | 0 | |a Print version record. | |
| 520 | |a This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab initio quantum chemistry is helpful, but not essential. Some distinguishing features of this book are: Clear exposition of the basic theory at a level to facilitate independent study. Discussion of the various versions of the theory: diffusion Monte Carlo, Green's function Monte Carlo, and release n. | ||
| 590 | |a eBooks on EBSCOhost |b EBSCO eBook Subscription Academic Collection - Worldwide | ||
| 650 | 0 | |a Quantum chemistry. | |
| 650 | 0 | |a Monte Carlo method. | |
| 650 | 6 | |a Chimie quantique. | |
| 650 | 6 | |a Méthode de Monte-Carlo. | |
| 650 | 7 | |a SCIENCE |x Chemistry |x Physical & Theoretical. |2 bisacsh | |
| 650 | 7 | |a Monte Carlo method |2 fast | |
| 650 | 7 | |a Quantum chemistry |2 fast | |
| 650 | 7 | |a Monte-Carlo-Simulation |2 gnd | |
| 650 | 7 | |a Quantenchemie |2 gnd | |
| 650 | 7 | |a Chimie quantique. |2 ram | |
| 650 | 7 | |a Monte-Carlo, Méthode de. |2 ram | |
| 650 | 7 | |a Méthodes ab initio (chimie quantique) |2 ram | |
| 700 | 1 | |a Lester, W. A. | |
| 700 | 1 | |a Reynolds, Peter J. |q (Peter James) | |
| 776 | 0 | 8 | |i Print version: |a Hammond, B.L. |t Monte Carlo methods in ab initio quantum chemistry. |d Singapore ; River Edge, NJ : World Scientific, ©1994 |z 9810203217 |w (DLC) 93047070 |w (OCoLC)29594695 |
| 830 | 0 | |a World scientific lecture and course notes in chemistry ; |v v. 1. | |
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