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...
Gespeichert in:
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| Weitere Verfasser: | , |
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Singapore ; River Edge, NJ :
World Scientific,
©1994.
|
| Schriftenreihe: | World scientific lecture and course notes in chemistry ;
v. 1. |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Zusammenfassung: | 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. |
| Beschreibung: | 1 online resource (xiv, 304 pages) : illustrations |
| Bibliographie: | Includes bibliographical references (pages 287-304). |
| ISBN: | 9789814317245 9814317241 |
Internformat
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| contents | 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. |
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| illustrated | Illustrated |
| indexdate | 2024-11-27T13:25:20Z |
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| spelling | Hammond, B. L. Monte Carlo methods in ab initio quantum chemistry / B.L. Hammond, W.A. Lester, Jr., P.J. Reynolds. Singapore ; River Edge, NJ : World Scientific, ©1994. 1 online resource (xiv, 304 pages) : illustrations text txt rdacontent computer c rdamedia online resource cr rdacarrier World scientific lecture and course notes in chemistry ; v. 1 Includes bibliographical references (pages 287-304). 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. Print version record. 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. Quantum chemistry. http://id.loc.gov/authorities/subjects/sh85109456 Monte Carlo method. http://id.loc.gov/authorities/subjects/sh85087032 Chimie quantique. Méthode de Monte-Carlo. SCIENCE Chemistry Physical & Theoretical. bisacsh Monte Carlo method fast Quantum chemistry fast Monte-Carlo-Simulation gnd http://d-nb.info/gnd/4240945-7 Quantenchemie gnd http://d-nb.info/gnd/4047979-1 Chimie quantique. ram Monte-Carlo, Méthode de. ram Méthodes ab initio (chimie quantique) ram Lester, W. A. Reynolds, Peter J. (Peter James) https://id.oclc.org/worldcat/entity/E39PCjGgdW9Tyg8kThr8v6xCcP http://id.loc.gov/authorities/names/n86814954 has work: Monte Carlo methods in Ab Initio quantum chemistry (Text) https://id.oclc.org/worldcat/entity/E39PCFtjdgqQHXVXg8Xckf6vQC https://id.oclc.org/worldcat/ontology/hasWork Print version: Hammond, B.L. Monte Carlo methods in ab initio quantum chemistry. Singapore ; River Edge, NJ : World Scientific, ©1994 9810203217 (DLC) 93047070 (OCoLC)29594695 World scientific lecture and course notes in chemistry ; v. 1. http://id.loc.gov/authorities/names/n91044969 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=564637 Volltext |
| spellingShingle | Hammond, B. L. Monte Carlo methods in ab initio quantum chemistry / World scientific lecture and course notes in chemistry ; 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. Quantum chemistry. http://id.loc.gov/authorities/subjects/sh85109456 Monte Carlo method. http://id.loc.gov/authorities/subjects/sh85087032 Chimie quantique. Méthode de Monte-Carlo. SCIENCE Chemistry Physical & Theoretical. bisacsh Monte Carlo method fast Quantum chemistry fast Monte-Carlo-Simulation gnd http://d-nb.info/gnd/4240945-7 Quantenchemie gnd http://d-nb.info/gnd/4047979-1 Chimie quantique. ram Monte-Carlo, Méthode de. ram Méthodes ab initio (chimie quantique) ram |
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| title | Monte Carlo methods in ab initio quantum chemistry / |
| title_auth | Monte Carlo methods in ab initio quantum chemistry / |
| title_exact_search | Monte Carlo methods in ab initio quantum chemistry / |
| title_full | Monte Carlo methods in ab initio quantum chemistry / B.L. Hammond, W.A. Lester, Jr., P.J. Reynolds. |
| title_fullStr | Monte Carlo methods in ab initio quantum chemistry / B.L. Hammond, W.A. Lester, Jr., P.J. Reynolds. |
| title_full_unstemmed | Monte Carlo methods in ab initio quantum chemistry / B.L. Hammond, W.A. Lester, Jr., P.J. Reynolds. |
| title_short | Monte Carlo methods in ab initio quantum chemistry / |
| title_sort | monte carlo methods in ab initio quantum chemistry |
| topic | Quantum chemistry. http://id.loc.gov/authorities/subjects/sh85109456 Monte Carlo method. http://id.loc.gov/authorities/subjects/sh85087032 Chimie quantique. Méthode de Monte-Carlo. SCIENCE Chemistry Physical & Theoretical. bisacsh Monte Carlo method fast Quantum chemistry fast Monte-Carlo-Simulation gnd http://d-nb.info/gnd/4240945-7 Quantenchemie gnd http://d-nb.info/gnd/4047979-1 Chimie quantique. ram Monte-Carlo, Méthode de. ram Méthodes ab initio (chimie quantique) ram |
| topic_facet | Quantum chemistry. Monte Carlo method. Chimie quantique. Méthode de Monte-Carlo. SCIENCE Chemistry Physical & Theoretical. Monte Carlo method Quantum chemistry Monte-Carlo-Simulation Quantenchemie Monte-Carlo, Méthode de. Méthodes ab initio (chimie quantique) |
| url | https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=564637 |
| work_keys_str_mv | AT hammondbl montecarlomethodsinabinitioquantumchemistry AT lesterwa montecarlomethodsinabinitioquantumchemistry AT reynoldspeterj montecarlomethodsinabinitioquantumchemistry |