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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