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

J. M. Pitarke·A. G. Eguiluz
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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.

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J. M. Pitarke, A. G. Eguiluz. 2000-10-27. Jellium surface energy beyond the local-density approximation: Self-consistent-field calculations. https://doi.org/10.1103/physrevb.63.045116

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