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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 31, 1976 - Issue 3
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Original Articles

Variational localized-site cluster expansions

IV. Hubbard and PPP models

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Pages 797-809 | Received 06 Jul 1975, Published online: 23 Aug 2006
 

Abstract

The simplest variational localized-site cluster expansions for Hubbard and Pariser-Parr-Pople (PPP) models are considered and explicit matrix element formulae are developed. Numerical calculations for infinite chains and finite cycles are reported. It is found that even the simplest ansatz yields results in the atomic limit which are better than other conventional techniques. Near the band limit its accuracy decreases, as expected, but the next most simple ansatz does better.

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