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.
@article{arxiv.0804.0684,
title = {Self-interaction correction in a simple model},
author = {P. M. Dinh and J. Messud and P. -G. Reinhard and E. Suraud},
journal= {arXiv preprint arXiv:0804.0684},
year = {2009}
}
Comments
12 pages, 4 figures, to be published in Physics Letters A