Nonuniqueness of the Potentials of Spin-Density-Functional Theory
Materials Science
2009-10-31 v1
Abstract
It is shown that, contrary to widely held beliefs, the potentials of spin-density-functional theory (SDFT) are not unique functionals of the spin densities. Explicit examples of distinct sets of potentials with the same ground-state densities are constructed, and general arguments that uniqueness should not occur in SDFT and other generalized density-functional theories are given. As a consequence, various types of applications of SDFT require significant corrections or modifications.
Keywords
Cite
@article{arxiv.cond-mat/0006116,
title = {Nonuniqueness of the Potentials of Spin-Density-Functional Theory},
author = {K. Capelle and G. Vignale},
journal= {arXiv preprint arXiv:cond-mat/0006116},
year = {2009}
}
Comments
4 pages, no figures