It is demonstrated that the commonly applied self-interaction correction (SIC) used in density functional theory does not remove all self-interaction. We present as an alternative a novel method that, by construction, is totally free from self-interaction. The method has the correct asymptotic 1/r d
Self-interaction corrections in the density functional formalism
β Scribed by O. Gunnarsson; R.O. Jones
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 307 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0038-1098
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π SIMILAR VOLUMES
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