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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...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Hammond, B. L.
Otros Autores: Lester, W. A., Reynolds, Peter J. (Peter James)
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
Descripción
Sumario: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.
Descripción Física:1 online resource (xiv, 304 pages) : illustrations
Bibliografía:Includes bibliographical references (pages 287-304).
ISBN:9789814317245
9814317241