Physics – Condensed Matter – Other Condensed Matter
Scientific paper
2008-04-04
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.
Dinh Phuong Mai
Messud Jeremie
Reinhard Paul-Gerhard
Suraud E.
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