Assessment of density functional approximations: long-range correlations and self-interaction effects
Other Condensed Matter
2016-08-16 v1 Materials Science
Abstract
The complex nature of electron-electron correlations is made manifest in the very simple but non-trivial problem of two electrons confined within a sphere. The description of highly non-local correlation and self-interaction effects by widely used local and semi-local exchange-correlation energy density functionals is shown to be unsatisfactory in most cases. Even the best such functionals exhibit significant errors in the Kohn-Sham potentials and density profiles.
Cite
@article{arxiv.cond-mat/0404559,
title = {Assessment of density functional approximations: long-range correlations and self-interaction effects},
author = {J. Jung and P. García-González and J. E. Alvarellos and R. W. Godby},
journal= {arXiv preprint arXiv:cond-mat/0404559},
year = {2016}
}
Comments
7 pages 4 figures. Accepted in PRA