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:
Reihe
Sprache
Verlagsort
Zielgruppe
Für höhere Schule und Studium
Für Beruf und Forschung
Maße
Höhe: 235 mm
Breite: 157 mm
Dicke: 22 mm
Gewicht
ISBN-13
978-981-02-0321-4 (9789810203214)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Klassifikation
Autor*in
Fujitsu America, Inc.
Univ Of California, Berkeley, Usa
Office Of Naval Research, Usa
Review of ab initio quantum chemistry; introduction to Monte Carlo methods; the variational Monte Carlo method; quantum Monte Carlo; exact Green's function methods; released node methods; excited states; properties other than energy; determination of interaction potentials, stationary geometries, energy derivatives; valence-electron and acceleration methods.
