Jellium surface energy beyond the local-density approximation: Self-consistent-field calculations
- 9 January 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 63 (4) , 045116
- https://doi.org/10.1103/physrevb.63.045116
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
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