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Symmetric Nonlocal Weighted Density Approximations...
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