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arxiv: 0804.0684 · v2 · submitted 2008-04-04 · ❄️ cond-mat.other

Self-interaction correction in a simple model

classification ❄️ cond-mat.other
keywords modelsimpleself-interactionstatesallowsbalancebenchmarkcalculations
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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.

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