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Accueil du site > Publications > Publications 2008 > Self-interaction correction in a simple model

Self-interaction correction in a simple model

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

par Mai Seve-Dinh - 1er juillet 2008

We discuss various ways to handle self-interaction corrections (SIC) to Density Functional Theory (DFT) calculations. To that end, we use a simple model of few particles in a finite number of states together with a simple zero-range interaction for which full Hartree-Fock can easily be computed as a benchmark. The model allows to shed some light on the balance between orthonormality of the involved states and energy variance.