Scaling relations, virial theorem and energy densities for long-range and short-range density functionals
Chemical Physics
2015-06-26 v1
Abstract
We analyze a decomposition of the Coulomb electron-electron interaction into a long-range and a short-range part in the framework of density functional theory, deriving some scaling relations and the corresponding virial theorem. We study the behavior of the local density approximation in the high-density limit for the long-range and the short-range functionals by carrying out a detailed analysis of the correlation energy of a uniform electron gas interacting via a long-range only electron-electron repulsion. Possible definitions of exchange and correlation energy densities are discussed and clarified with some examples.
Keywords
Cite
@article{arxiv.physics/0605023,
title = {Scaling relations, virial theorem and energy densities for long-range and short-range density functionals},
author = {Julien Toulouse and Paola Gori-Giorgi and Andreas Savin},
journal= {arXiv preprint arXiv:physics/0605023},
year = {2015}
}
Comments
7 pages, 3 figures