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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 66, 1989 - Issue 2
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Original Articles

Heisenberg-model cluster expansion for half-filled Hubbard and PPP models

, &
Pages 317-332 | Received 21 Jul 1988, Accepted 16 Sep 1988, Published online: 26 Oct 2007
 

Abstract

Pariser-Parr-Pople, Hubbard, and Heisenberg models for systems with one electron per site, such as the π-networks of neutral conjugated hydrocarbons, are considered. It is argued that for usual systems the Hubbard model describes reasonably only those states that are also capable of being so described by a Heisenberg model. Such Heisenberg models are given by a cluster expansion, surpassing in accuracy the results of correspondingly low-order degenerate perturbation expansions.

Research supported by the Robert A. Welch Foundation of Houston, Texas, U.S.A.

Research supported by the Robert A. Welch Foundation of Houston, Texas, U.S.A.

Notes

Research supported by the Robert A. Welch Foundation of Houston, Texas, U.S.A.

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