## Abstract We propose a new simple scheme for selfโinteraction correction (SIC) of exchange functionals in the density functional theory. In the new scheme, exchange energies are corrected by substituting exchange selfโinteractions for exchange functionals in regions of selfโinteraction. To classi
โฆ LIBER โฆ
Communication: Self-interaction correction with unitary invariance in density functional theory
โ Scribed by Pederson, Mark R.; Ruzsinszky, Adrienn; Perdew, John P.
- Book ID
- 126821060
- Publisher
- American Institute of Physics
- Year
- 2014
- Tongue
- English
- Weight
- 347 KB
- Volume
- 140
- Category
- Article
- ISSN
- 0021-9606
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