Valence Bond Methods
Theory and Applications
This book focuses on ab initio valence bond theory.
Gordon A. Gallup (Author)
9780521803922, Cambridge University Press
Hardback, published 11 July 2002
256 pages
24.4 x 17 x 1.6 cm, 0.64 kg
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 ]
Valence Bond Methods
Theory and Applications
This book focuses on ab initio valence bond theory.
Gordon A. Gallup (Author)
9780521803922, Cambridge University Press
Hardback, published 11 July 2002
256 pages
24.4 x 17 x 1.6 cm, 0.64 kg
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 ]
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