Adiabatic-connection approach to Kohn-Sham theory

J. Harris
Phys. Rev. A 29, 1648 – Published 1 April 1984
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Abstract

The Kohn-Sham method for energy calculation in inhomogeneous electron systems relies on a comparison of functionals describing interacting and noninteracting electrons. An alternate approach draws the link between interacting and noninteracting systems explicitly, via an adiabatic connection of eigenstates. This adiabatic-connection scheme eliminates the "Fermi-statistics" problem and provides partial answers to some other conceptual difficulties that arise when the Kohn-Sham method is applied in practice. In addition, dimensional arguments can be given that justify the use of local-density approximations for exchange and correlation within the adiabatic connection framework. These arguments do not involve a "slowly varying" assumption and are valid for any system, however inhomogeneous.

  • Received 22 July 1983

DOI:https://doi.org/10.1103/PhysRevA.29.1648

©1984 American Physical Society

Authors & Affiliations

J. Harris*

  • Institute for Theoretical Physics, University of California, Santa Barbara, California 93106
  • Institut für Festkörperforschung, Kernforschungsanlage Jülich, D-5170 Jülich, West Germany

  • *Permanent address.

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Issue

Vol. 29, Iss. 4 — April 1984

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