Self-interaction correction in a simple model

Details Self-interaction correction in a simple model Self-interaction correction in a simple model

2008-04-04

arxiv.org/abs/0804.0684v2

Phys. Lett. A 372 (2008) 5598

Physics

Condensed Matter

Other Condensed Matter

12 pages, 4 figures, to be published in Physics Letters A

Scientific paper

10.1016/j.physleta.2008.06.069

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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