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Variational localized-site cluster expansions. II. Trees and near trees

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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.

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KLEIN, D.j., GARCÍA BACH, Ma. de los ángeles. Variational localized-site cluster expansions. II. Trees and near trees. _Journal of Chemical Physics_. 1976. Vol. 64, núm. 4873-4877. [consulta: 23 de gener de 2026]. ISSN: 0021-9606. [Disponible a: https://hdl.handle.net/2445/199749]

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