The many-body exchange-correlation hole at metal surfaces
Materials Science
2009-01-27 v1
Abstract
We present a detailed study of the coupling-constant-averaged exchange-correlation hole density at a jellium surface, which we obtain in the random-phase approximation (RPA) of many-body theory. We report contour plots of the exchange-only and exchange-correlation hole densities, the integration of the exchange-correlation hole density over the surface plane, the on-top correlation hole, and the energy density. We find that the on-top correlation hole is accurately described by local and semilocal density-functional approximations. We also find that for electrons that are localized far outside the surface the main part of the corresponding exchange-correlation hole is localized at the image plane.
Cite
@article{arxiv.0901.3872,
title = {The many-body exchange-correlation hole at metal surfaces},
author = {Lucian A. Constantin J. M. Pitarke},
journal= {arXiv preprint arXiv:0901.3872},
year = {2009}
}
Comments
7 pages, 6 figures