Article ID Journal Published Year Pages File Type
1862575 Physics Letters A 2008 5 Pages PDF
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.

Related Topics
Physical Sciences and Engineering Physics and Astronomy Physics and Astronomy (General)
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