Exchange-correlation energy of a metallic surface: Wave-vector analysis

David C. Langreth and John P. Perdew
Phys. Rev. B 15, 2884 – Published 15 March 1977
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Abstract

The exchange-correlation energy of a jellium metal surface is analyzed in terms of the wavelength of the fluctuations that contribute to it, using a three-dimensional scheme different from that used by other authors. It is shown that with this scheme there exists an exact limiting form at long wavelengths which includes all many-body correlations and which is independent of the surface density profile. The local-density approximation is formulated as a function of wavelength, and it is shown to be exact at short wavelength. The interpolation scheme between these limits, which was discussed previously, is formulated and checked more completely and used to calculate surface energies.

  • Received 12 November 1976

DOI:https://doi.org/10.1103/PhysRevB.15.2884

©1977 American Physical Society

Authors & Affiliations

David C. Langreth

  • Nordita, Copenhagen, Denmark
  • Rutgers University, New Brunswick, New Jersey 08903

John P. Perdew

  • Rutgers University, New Brunswick, New Jersey 08903

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Issue

Vol. 15, Iss. 6 — 15 March 1977

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