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Self-interaction correction in a simple model
Authors:PM Dinh  J Messud  E Suraud
Institution:a Laboratoire de Physique Théorique, Université Paul Sabatier, CNRS, 118 route de Narbonne, F-31062 Toulouse Cédex, France
b Institut für Theoretische Physik, Universität Erlangen, Staudtstrasse 7, D-91058 Erlangen, Germany
Abstract: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.
Keywords:71  15  Mb  31  15  -E  73  22  -f
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