Journal article
Symmetric Nonlocal Weighted Density Approximations from the Exchange-Correlation Hole of the Uniform Electron Gas
Abstract
Nonlocal exchange-correlation energy functionals are constructed using the accurate model exchange-correlation hole for the uniform electron gas developed by Gori-Giorgi and Perdew. The exchange-correlation hole is constrained to be symmetric and normalized, so the resulting functionals can be viewed as symmetrized versions of the weighted density approximation; we call them two-point weighted density approximations. Even without optimization …
Authors
Cuevas-Saavedra R; Chakraborty D; Rabi S; Cárdenas C; Ayers PW
Journal
Journal of Chemical Theory and Computation, Vol. 8, No. 11, pp. 4081–4093
Publisher
American Chemical Society (ACS)
Publication Date
November 13, 2012
DOI
10.1021/ct300325t
ISSN
1549-9618