Phys. Rev. B 41, 7868–7871 (1990)Good semiconductor band gaps with a modified local-density approximationReceived 22 November 1989; published in the issue dated 15 April 1990 The exchange operator is divided into two parts, a Thomas-Fermi screened exchange operator and the remainder. The remainder and correlation are treated in the local-density approximation, while the screened exchange matrix elements are exactly evaluated. Calculations for Si result in much improved band gaps as well as an improved exchange contribution to the binding energy. © 1990 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.41.7868
DOI:
10.1103/PhysRevB.41.7868
PACS:
71.10.+x, 71.25.Rk
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