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Image potential and the exchange-correlation weighted density approximation functional

Garcia-González, P., Alvarellos, K.E., Chacón, E. and Tarazona, P. (2000) Image potential and the exchange-correlation weighted density approximation functional. Physical Review B, 62 (23). pp. 16063-16068. ISSN 1550-235x

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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.

Item Type: Article
Copyright, Publisher and Additional Information: © 2000 American Physical Society.
Institution: The University of York
Academic Units: The University of York > Physics (York)
Depositing User: Physics Import
Date Deposited: 07 Aug 2008 13:03
Last Modified: 07 Aug 2008 13:03
Published Version: http://link.aps.org/abstract/PRB/v62/p16063
Status: Published
Publisher: American Physical Society
Refereed: Yes
Identification Number: 10.1103/PhysRevB.62.16063
URI: http://eprints.whiterose.ac.uk/id/eprint/4039

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