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Phys. Rev. B 26, 2810–2818 (1982)

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

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David C. Langreth
Department of Physics and Astronomy, Rutgers University, New Brunswick, New Jersey 08903

John P. Perdew
Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118

Received 19 January 1982; published in the issue dated 15 September 1982

The wave-vector analysis γ(K), whose integral gives the nonuniform part of the exchange-correlation energy, is studied for a planar metallic surface. It is shown (1) that for "exchange only" γ(K)→-0.009662/rs3 a.u. as K→0 for the infinite barrier surface; (2) that this limit is universal—for all planar surfaces in an exchange-only approximation, γ approaches this same universal number; (3) how the limit above reverts to that previously derived by the authors [γ(K)|K| as K→0] when electron correlation is included. The method of wave-vector interpolation, which relies on the latter limit for the Coulomb-correlated surface, thus withstands recent questioning based on the "exchange-only" approximation. Finally, the probable small-K behavior of γ(K) for a system of neutral fermions is discussed.

© 1982 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.26.2810
DOI:
10.1103/PhysRevB.26.2810
PACS: