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...

Ausführliche Beschreibung

Bibliographische Detailangaben

1. Verfasser:	Hammond, B. L. (VerfasserIn)
Format:	Elektronisch E-Book
Sprache:	English
Veröffentlicht:	Singapore World Scientific Pub. Co. c1994
Schriftenreihe:	World Scientific lecture and course notes in chemistry v. 1
Schlagworte:	Quantum chemistry Monte Carlo method Quantenchemie Monte-Carlo-Simulation
Online-Zugang:	FHN01 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 node Monte Carlo; Commentary on the important features that distinguish this stochastic approach from ab initio methods
Beschreibung:	xiv, 304 p. ill
ISBN:	9789814317245