화학공학소재연구정보센터
Chemical Physics Letters, Vol.479, No.4-6, 300-305, 2009
Polarizabilities as a test of localized approximations to the self-interaction correction
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 C-4 (organic) chains, and less symmetrical systems such as a Na-5 (metallic) cluster. Comparison is made with other SIC schemes, especially with the standard SIC-Slater one. (c) 2009 Elsevier B.V. All rights reserved.