Identities for density functionals linking functionals of different densities
Materials Science
2011-08-09 v2
Abstract
In electron density functional theory formal properties of density functionals play an important role in constructing and testing approximate functionals. In this paper it is shown that a set of density functionals satisfy an equation that links functionals of densities of N and N-1 systems of the same Hamiltonian. In particular the identity is satisfied by the sum of the Hartree and exchange-correlation energies.
Cite
@article{arxiv.1108.1094,
title = {Identities for density functionals linking functionals of different densities},
author = {Daniel P. Joubert},
journal= {arXiv preprint arXiv:1108.1094},
year = {2011}
}
Comments
13 pages