Asymptotic structure of the Kohn–Sham effective potential at metal surfaces

Authors

  • Manoj K. Harbola,

    1. Department of Physics, Brooklyn College of the City University of New York, Brooklyn, New York 11210; and The Graduate School and University Center of the City University of New York, 33 West 42nd Street, New York, New York, 10036
    Current affiliation:
    1. Center for Advanced Technology, Indore 452013, India
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  • Viraht Sahni

    1. Department of Physics, Brooklyn College of the City University of New York, Brooklyn, New York 11210; and The Graduate School and University Center of the City University of New York, 33 West 42nd Street, New York, New York, 10036
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Abstract

In this article we calculate the asymptotic structure of the exchange potential for the Fermi level electron in the vacuum region outside a metal surface, and show it to be the image potential. In this asymptotic region the exchange potential due to the Fermi level electron is equivalent to the optimized potential of exchange-only density-functional theory. Thus, the asymptotic Kohn–Sham effective potential at a metal surface is the image potential, and arises soley due to correlations which result from the Pauli exclusion principle. © 1993 John Wiley & Sons, Inc.

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