The Leading eBooks Store Online 4,173,809 members ⚫ 1,357,844 ebooks

New to eBooks.com?

Learn more

Valence Bond Methods

Theory and Applications

Valence Bond Methods by Gordon A. Gallup
Buy this eBook
US$ 35.00 US$ 31.50
(If any tax is payable it will be calculated and shown at checkout.)
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.
Cambridge University Press; July 2002
256 pages; ISBN 9780511007903
Read online, or download in secure PDF format
Title: Valence Bond Methods
Author: Gordon A. Gallup