Journal
CHEMICAL PHYSICS LETTERS
Volume 478, Issue 4-6, Pages 283-286Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2009.07.052
Keywords
-
Funding
- US Department of Energy [DE-AC0376SF00098]
- SciDAC Program
Ask authors/readers for more resources
The exchange energy of a uniform electron gas which experiences a two-parameter separation of the Coulomb interaction is derived as a local functional of the electron density. The two parameter range separator allows separate control of where and how rapidly the Coulomb interaction is switched off. The usefulness of the functional is briefly assessed by combination with a recently published pair of exchange and correlation functionals. The self-interaction error of noble-gas dimer cation dissociation is found to be reduced while thermochemistry is relatively unperturbed. These results suggest that changes in attenuator shape can improve range-separated functionals. (C) 2009 Elsevier B. V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available