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Phys. Rev. B 15, 2884–2901 (1977)

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

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David C. Langreth
Nordita, Copenhagen, Denmark
Rutgers University, New Brunswick, New Jersey 08903

John P. Perdew
Rutgers University, New Brunswick, New Jersey 08903

Received 12 November 1976; published in the issue dated 15 March 1977

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.

© 1977 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.15.2884
DOI:
10.1103/PhysRevB.15.2884
PACS: