Polarizabilities as a test of localized approximations to the self-interaction correction

Messud J, Wang Z, Dinh PM, Reinhard PG, Suraud E (2009)

Publication Type: Journal article

Publication year: 2009

Journal

Chemical Physics Letters Elsevier

Book Volume: 479

Pages Range: 300-305

Journal Issue: 4-6

DOI: 10.1016/j.cplett.2009.08.027

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. © 2009 Elsevier B.V. All rights reserved.

Authors with CRIS profile

Paul-Gerhard Reinhard Naturwissenschaftliche Fakultät

Involved external institutions

Université Toulouse III - Paul Sabatier FR France (FR)

How to cite

APA:

Messud, J., Wang, Z., Dinh, P.M., Reinhard, P.-G., & Suraud, E. (2009). Polarizabilities as a test of localized approximations to the self-interaction correction. Chemical Physics Letters, 479(4-6), 300-305. https://doi.org/10.1016/j.cplett.2009.08.027

MLA:

Messud, J., et al. "Polarizabilities as a test of localized approximations to the self-interaction correction." Chemical Physics Letters 479.4-6 (2009): 300-305.

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