Jellium surface energy beyond the local-density approximation: Self-consistent-field calculations

Preprint

27 October 2000

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/0010444

Abstract

We report extensive self-consistent calculations of jellium surface energies, by going beyond the local-density approximation. The density-response function of a bounded free-electron gas is evaluated within the random-phase approximation, with use of self-consistent electron density profiles. The exchange-correlation energy is then obtained from an exact adiabatic fluctuation-dissipation formula. We also investigate quantum-size effects and the extrapolation of finite-slab calculations to the infinite-width limit.

Keywords

LOCAL DENSITY APPROXIMATION
JELLIUM SURFACE ENERGIES
RESPONSE FUNCTION
REPORT EXTENSIVE
CONSISTENT FIELD

All Related Versions

Version 1, 2000-10-27, ArXiv
Published version: Physical Review B, 63 (4), 045116.

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