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Exact static polarizabilities of correlated finite model systems

Ramasesha, S and Albert, IDL (1989) Exact static polarizabilities of correlated finite model systems. In: Chemical Physics Letters, 154 (5). 501-504 .

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Official URL: http://dx.doi.org/10.1016/0009-2614(89)87140-4

Abstract

A finite-field method for calculating exact polarizabilities of correlated conjugated model systems within the valence bond (VB) framework is presented. The correlations reduce the polarizabilities from their noninteracting values and extend the range of linearity to higher external fields. The large nonlinear polarizabilities observed in strongly correlated conjugated organic molecules cannot be directly attributed to electron correlations. The method described can be employed to calculate static polarizabilities for any desired state of a correlated system.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Elsevier science.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 13 Oct 2010 08:50
Last Modified: 13 Oct 2010 08:50
URI: http://eprints.iisc.ernet.in/id/eprint/33165

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