A short-range correlation energy density functional with multi-determinantal reference
Chemical Physics
2007-05-23 v1 Computational Physics
Abstract
We introduce a short-range correlation density functional defined with respect to a multi-determinantal reference which is meant to be used in a multi-determinantal extension of the Kohn-Sham scheme of density functional theory based on a long-range/short-range decomposition of the Coulomb electron-electron interaction. We construct the local density approximation for this functional and discuss its performance on the He atom.
Keywords
Cite
@article{arxiv.physics/0611200,
title = {A short-range correlation energy density functional with multi-determinantal reference},
author = {Julien Toulouse and Paola Gori-Giorgi and Andreas Savin},
journal= {arXiv preprint arXiv:physics/0611200},
year = {2007}
}
Comments
4 pages, 2 figures