Journal article
Symmetric two-point weighted density approximation for exchange energies
Abstract
We describe a symmetric, two-point, nonlocal weighted density approximation for the exchange energy of atoms and compare it to conventional density functionals and the conventional weighted density approximation. Even the simplest two-point weighted density approximation gives results comparable to the best generalized gradient approximations. Unlike those functionals, however, the two-point weighted density approximation is fully nonlocal, has …
Authors
Cuevas-Saavedra R; Chakraborty D; Ayers PW
Journal
Physical Review A, Vol. 85, No. 4,
Publisher
American Physical Society (APS)
Publication Date
April 1, 2012
DOI
10.1103/physreva.85.042519
ISSN
2469-9926