Items related to Valence Bond Methods: Theory and Applications

Valence Bond Methods: Theory and Applications - Softcover

Gallup, Gordon A.

 
9780521021272: Valence Bond Methods: Theory and Applications
Softcover
ISBN 10: 0521021278 ISBN 13: 9780521021272
Publisher: Cambridge University Press, 2008

Synopsis

Valence bond theory is one of two commonly used methods in molecular quantum mechanics, the other is molecular orbital theory. This book focuses on the first of these methods, ab initio valence bond theory. The book is split into two parts. Part I gives simple examples of two-electron calculations and the necessary theory to extend these to larger systems. Part II gives a set of case studies of related molecule sets designed to show the nature of the valence bond description of molecular structure. It also highlights the stability of this description to varying basis sets. There are references to the CRUNCH computer program for molecular structure calculations which is currently available in the public domain. The book will be of primary interest to researchers and students working on electronic theory and computation in chemistry and chemical physics.

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About the Author

Professor of Chemistry at the University of Nebraska, Lincoln.

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Publisher
Cambridge University Press
Publication date
2008
Language
English
ISBN 10 
0521021278
ISBN 13 
9780521021272
Binding
Paperback
Number of pages
256