Valence bond methods: theory and applications
Auteur :
Gallup, Gordon A.
Éditeur :
Cambridge University Press
ISBN :
9780521803922
Date de publication :
11 juil. 2002
Dimensions :
24,4 x 17,0 x 1,6 cm
Poids :
640 g
Langue :
Anglais
Pays d'origine :
Grande Bretagne
This book focuses on ab initio valence bond theory. Part I gives examples of two-electron calculations and the necessary theory to extend these to larger systems. Part II discusses a series of case studies. Reference is made throughout to the freely available CRUNCH computer program for molecular structure calculations.