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Generalized Slater and static polarizabilities

J. Messud, Z. Wang, P.M. Dinh, P.-G. Reinhard, E. Suraud

par Mai Seve-Dinh - 30 avril 2009

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.