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Electrons in extended systems

1995; American Physical Society; Volume: 52; Issue: 24 Linguagem: Inglês

10.1103/physrevb.52.17106

1095-3795

J. S. Faulkner, Yang Wang, G. M. Stocks,

Surface and Thin Film Phenomena

We have carried out a series of order-N calculations on disordered and ordered alloys using the local-density approximation. We have observed a linear relation between the self-consistent charges associated with a site and the long-range electrostatic potential at the site that has some interesting implications in the context of density-functional theory. It may be described as a locality principle, although it is not the usual one.