Variational localized-site cluster expansions. II. Trees and near trees
- 15 June 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 64 (12) , 4873-4877
- https://doi.org/10.1063/1.432144
Abstract
Cluster expanded wavefunctions involving localized‐site states and only pair excitations between nearest neighbor sites are considered. In the case that the bonds connecting these nearest neighbor sites form a tree graph (without rings), exact matrix element formulas are obtained in terms of the inverse of a modified type of topological matrix associated with this tree graph. The treatment of some near‐tree cases, without any touching rings, is also discussed.Keywords
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