Exact treatment of exchange in Kohn-Sham band-structure schemes

Andreas Görling
Phys. Rev. B 53, 7024 – Published 15 March 1996; Erratum Phys. Rev. B 59, 10370 (1999)
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Abstract

A Kohn-Sham (KS) scheme for solids treating exchange exactly is introduced. The scheme emerges from a recently introduced exact formal KS procedure [A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994)]. The exact density-functional exchange potential is obtained in terms of its Fourier components. The method can easily be implemented on the basis of existing Hartree-Fock schemes for solids employing plane waves as basis sets. © 1996 The American Physical Society.

  • Received 1 August 1995

DOI:https://doi.org/10.1103/PhysRevB.53.7024

©1996 American Physical Society

Erratum

Authors & Affiliations

Andreas Görling

  • Lehrstuhl für Theoretische Chemie, Technische Universität München, 85747 Garching, Germany

Comments & Replies

Erratum: Electrical characteristics and efficiency of single-layer organic light-emitting diodes [Phys. Rev. B 58, R13 411 (1998)]

G. G. Malliaras, J. R. Salem, P. J. Brock, and J. C. Scott
Phys. Rev. B 59, 10371 (1999)

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Vol. 53, Iss. 11 — 15 March 1996

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