Product Description
Valence Bond Methods
Theory and Applications
This book focuses on ab initio valence bond theory.
Gordon A. Gallup (Author)
9780521021272, Cambridge University Press
Paperback / softback, published 13 October 2005
256 pages
24.4 x 19 x 1.4 cm, 0.414 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 ]
Valence Bond Methods Theory and Applications Gallup Paperback 9780521021272
Valence Bond Methods
Theory and Applications
This book focuses on ab initio valence bond theory.
Gordon A. Gallup (Author)
9780521021272, Cambridge University Press
Paperback / softback, published 13 October 2005
256 pages
24.4 x 19 x 1.4 cm, 0.414 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 ]
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