Format:
Online-Ressource (1 online resource (256 p.))
,
digital, PDF file(s).
Edition:
Online-Ausg.
ISBN:
9780511535383
Content:
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.
Note:
Title from publishers bibliographic system (viewed on 18 Feb 2013)
Additional Edition:
ISBN 9780521803922
Additional Edition:
Erscheint auch als Druck-Ausgabe Gallup, Gordon A., 1927 - Valence bond methods Cambridge [u.a.] : Cambridge Univ. Press, 2002 ISBN 0521803926
Language:
English
Subjects:
Chemistry/Pharmacy
Keywords:
Valence-Bond-Methode
;
Valenztheorie
;
Chemische Bindung
;
Theorie
DOI:
10.1017/CBO9780511535383
