1992•Physical review. B, Condensed matterRequires access

Sum rule for planar jellium surfaces treated within the Kohn-Sham local-density approximation

P. Ziesche, Jürgen Gräfenstein

Abstract

The recently published surface-stress theorem for half-space jellia is specified for the local-density approximation of the Kohn-Sham density-functional theory. A sum rule between the four contributions of the Lang-Kohn theory to the surface energy is derived and tested numerically.

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Key concepts: Jellium, Kohn–Sham equations, Local-density approximation, Sum rule in quantum mechanics, Planar, Density functional theory, Surface (topology), Space (punctuation)