Metal Surface Energy: Persistent Cancellation of Short-Range Correlation Effects beyond the Random-Phase Approximation
Abstract
The role that non-local short-range correlation plays at metal surfaces is investigated by analyzing the correlation surface energy into contributions from dynamical density fluctuations of various two-dimensional wave vectors. Although short-range correlation is known to yield considerable correction to the ground-state energy of both uniform and non-uniform systems, short-range correlation effects on intermediate and short-wavelength contributions to the surface formation energy are found to compensate one another. As a result, our calculated surface energies, which are based on a non-local exchange-correlation kernel that provides accurate total energies of a uniform electron gas, are found to be very close to those obtained in the random-phase approximation and support the conclusion that the error introduced by the local-density approximation is small.
Keywords
Cite
@article{arxiv.cond-mat/0211114,
title = {Metal Surface Energy: Persistent Cancellation of Short-Range Correlation Effects beyond the Random-Phase Approximation},
author = {J. M. Pitarke and J. P. Perdew},
journal= {arXiv preprint arXiv:cond-mat/0211114},
year = {2009}
}
Comments
5 pages, 1 figure, to appear in Phys. Rev. B