Monte Carlo Methods In Ab Initio Quantum Chemistry

P J Reynolds, Brian L Hammond, William A Lester

ISBN 10: 9810203225 / ISBN 13: 9789810203221

Published by World Scientific Publishing Co Pte Ltd, SG, 1994

About this Item

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:

Seller Inventory # LU-9789810203221

Bibliographic Details

• Title: Monte Carlo Methods In Ab Initio Quantum Chemistry
• Publisher: World Scientific Publishing Co Pte Ltd, SG
• Publication Date: 1994
• Language: English
• ISBN 10: 9810203225
• ISBN 13: 9789810203221
• Binding: Paperback
• Condition: New
• Dimensions: 17.7W x 1.83H x 25.78D centimeters 17.7 centimeters width by 1.83 centimeters height by 25.78 centimeters depth

About this title

Synopsis

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.