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Accueil du site > Publications > Publications 2009 > Time-dependent Generalized SIC-OEP formalism and Generalized SIC-Slater approximation

Time-dependent Generalized SIC-OEP formalism and Generalized SIC-Slater approximation

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

par Mai Seve-Dinh - 15 septembre 2009

We propose a simplification of the full ``2 sets’’ Time dependent Self Interaction Correction (TD-SIC) method, applying the Optimized Effective Potential (OEP) method. The new resulting scheme is called time-dependent ``Generalized SIC-OEP’’. A straightforward approximation, using the spatial localization of one set of orbitals, leads to the ``Generalized SIC-Slater’’ formalism. We show that it represents a great improvement compared to the traditional SIC-Slater/KLI formalisms.