Self-interaction Free Relativistic Spin-density Functional Theory
✍ Scribed by Ködderitzsch, D.; Ebert, H.; Engel, E.; Akai, H.
- Book ID
- 120559179
- Publisher
- Oldenbourg Wissenschaftsverlag
- Year
- 2010
- Tongue
- German
- Weight
- 531 KB
- Volume
- 224
- Category
- Article
- ISSN
- 0942-9352
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract We propose a new simple scheme for self‐interaction correction (SIC) of exchange functionals in the density functional theory. In the new scheme, exchange energies are corrected by substituting exchange self‐interactions for exchange functionals in regions of self‐interaction. To classi
“Relativistic Methods for Chemists”, written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the area of relativistic effects in atomic and molecular systems and processes and in their consequences for the interpretation of the heavy elemen