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Using the spin-resolved electronic direct...
Journal article

Using the spin-resolved electronic direct correlation function to estimate the correlation energy of the spin-polarized uniform electron gas

Abstract

We report a simple ansatz that includes spin-polarization in two different models for the exchange-correlation hole. Both models were originally conceived for the non-polarized uniform electron gas. One of them is based on the electronic direct correlation function, a novel approach to build the long-range behavior of the exchange-correlation hole. This ansatz is shown to work quite well considering the limitations of the original models. …

Authors

Cuevas-Saavedra R; Ayers PW

Journal

Journal of Physics and Chemistry of Solids, Vol. 73, No. 5, pp. 670–673

Publisher

Elsevier

Publication Date

May 2012

DOI

10.1016/j.jpcs.2012.01.004

ISSN

0022-3697