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Surface Science Letters, 1-3(178), p. A646-A647

DOI: 10.1016/0167-2584(86)90147-7

Elsevier, Surface Science, 1-3(178), p. 244-255

DOI: 10.1016/0039-6028(86)90299-2

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Non-local exchange and correlation in the jellium model of surfaces

Journal article published in 1986 by Stefano Ossicini ORCID, C. M. Bertoni, P. Gies
This paper is available in a repository.
This paper is available in a repository.

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Abstract

A method of describing the non-locality of exchange and correlation energy and potential. used by the authors in a density-functional calculation of atomic structure, is now adopted in a self-consistent calculation of a solid surface in the framework of the jellium model. The exchange-correlation potential VXC(z), within the approximation proposed by Gunnarsson and Jones, is written for a system with translational invariance in the plane parallel to the surface. The electron density n(z) and the total effective potential Veff(z) seen by an electron are self-consistently calculated for different electron densities (rs varying from 2 to 6). The behaviour of the different contributions to the surface potential, the intensity of the Friedel oscillations, the surface energies, and the image-plane position z0 are presented, discussed and compared with the results of the local density approximation.