Title of article
Polarizabilities as a test of localized approximations to the self-interaction correction
Author/Authors
J. Messud، نويسنده , , J. and Wang، نويسنده , , Z. and Dinh، نويسنده , , P.M. and Reinhard، نويسنده , , P.-G. and Suraud، نويسنده , , E.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
6
From page
300
To page
305
Abstract
We present applications of the recently introduced ‘Generalized SIC-Slater’ scheme which provides a simple self-interaction correction approximation in the framework of the optimized effective potential. We focus on the computation of static polarizabilities which are known to constitute stringent tests for density-functional theory. We apply the new method to model H chains, but also to more realistic systems such as C4 (organic) chains, and less symmetrical systems such as a Na5 (metallic) cluster. Comparison is made with other SIC schemes, especially with the standard SIC-Slater one.
Journal title
Chemical Physics Letters
Serial Year
2009
Journal title
Chemical Physics Letters
Record number
1927494
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