Image potential and the exchange-correlation weighted density approximation functional

P. García-González, J. E. Alvarellos, E. Chacón, and P. Tarazona
Phys. Rev. B 62, 16063 – Published 15 December 2000
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Abstract

It is known that the exchange-correlation (XC) potential vXC obtained by using the weighted density approximation (WDA) does not yield the correct image behavior 1/4z outside a metal surface. Some authors have speculated that this limitation could be overcome by symmetrizing the XC hole, using a two-point scaling factor in its modelization by the WDA. In this work, we show that this symmetrization procedure does not improve the XC potential vXC, and makes it unphysical. Alternatively, we present a WDA scheme based on an anisotropic scaling for the XC hole, constructed to verify both the normalization of the XC hole and the exact value of the second momenta of the XC hole. In this last case, the potencial vXC has the correct image decay.

  • Received 20 June 2000

DOI:https://doi.org/10.1103/PhysRevB.62.16063

©2000 American Physical Society

Authors & Affiliations

P. García-González1,2, J. E. Alvarellos1, E. Chacón3, and P. Tarazona4

  • 1Departamento de Física Fundamental, Universidad Nacional de Educación a Distancia, Apartado 60.141, E-28080 Madrid, Spain
  • 2Department of Physics, University of York, Heslington, York YO10 5DD, United Kingdom
  • 3Instituto de Ciencias de Materiales, Consejo Superior de Investigaciones Científicas, Cantoblanco, E-28049 Madrid, Spain
  • 4Departamento de Física Teórica de la Materia Condensada and Instituto Nicolás Cabrera, Universidad Autónoma de Madrid, E-28049 Madrid, Spain

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Issue

Vol. 62, Iss. 23 — 15 December 2000

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