Published March 1993
| Version v1
Journal article
Exact exchange functional for the hydrogen atom
Creators
- 1. Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (United States)
Description
We have constructed a gradient-corrected exchange functional which, when used in a self-consistent Kohn-Sham procedure, gives the exact Schroedinger energy and density for the hydrogen atom. The functional bears very little resemblance to any of the commonly used exchange functionals, even in its asymptotic behavior
Additional details
Publishing Information
- Journal Title
- Physical Review. A
- Journal Volume
- 47
- Journal Issue
- 3
- Journal Page Range
- p. 2383-2385.
- ISSN
- 1050-2947
- CODEN
- PLRAAN
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 24052080
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ATOMS; ELECTRONIC STRUCTURE; EXCHANGE INTERACTIONS; FUNCTIONALS; HYDROGEN
- Descriptors DEC
- ELEMENTS; INTERACTIONS; NONMETALS