Density-functional theory with adaptive pair density: The Gutzwiller approximation as a density functional
β Scribed by Lorenzana, J.; Ying, Z.-J.; Brosco, V.
- Book ID
- 115447123
- Publisher
- The American Physical Society
- Year
- 2012
- Tongue
- English
- Weight
- 204 KB
- Volume
- 86
- Category
- Article
- ISSN
- 1098-0121
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract We propose an approximate form of the exchangeβcorrelation energy functional for the Gutzwiller density functional theory. It satisfies certain physical constraints in both weak and strong electron correlation limits. We benchmark the Gutzwiller density functional approximation in the h
The on-top pair density P r, r gives the probability that one electron will be found on top Ε½ . of another at position r. We find that the local spin density LSD and generalized Ε½ . gradient GGA approximations for exchange and correlation predict this quantity with remarkable accuracy. We show how t