Energy densities in the strong-interaction limit of density functional theory
Chemical Physics
2012-11-14 v1 Strongly Correlated Electrons
Abstract
We discuss energy densities in the strong-interaction limit of density functional theory, deriving an exact expression within the definition (gauge) of the electrostatic potential of the exchange-correlation hole. Exact results for small atoms and small model quantum dots are compared with available approximations defined in the same gauge. The idea of a local interpolation along the adiabatic connection is discussed, comparing the energy densities of the Kohn-Sham, the physical, and the strong-interacting systems. We also use our results to analyze the local version of the Lieb-Oxford bound, widely used in the construction of approximate exchange-correlation functionals.
Keywords
Cite
@article{arxiv.1205.4522,
title = {Energy densities in the strong-interaction limit of density functional theory},
author = {André Mirtschink and Michael Seidl and Paola Gori-Giorgi},
journal= {arXiv preprint arXiv:1205.4522},
year = {2012}
}
Comments
12 pages