Abstract
Exchange potentials are considered in a Dirac‐Slater local density approximation, with the aim of simultaneously treating orbital polarization and relativistic effects in open‐shell systems. A simple moment‐polarized scheme analogous to the spin‐unrestricted nonrelativistic theory is developed, and illustrated by application to diatomic FeO.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 201-205 |
| Number of pages | 5 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 12 |
| Issue number | 11 S |
| DOIs | |
| State | Published - Jan 1 1977 |
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry