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