Many-electron self-interaction error in approximate density functionals
One of the most important challenges in density functional theory (DFT) is the proper description of fractional charge systems relating to the self-interaction error (SIE). Traditionally, the SIE has been formulated as a one-electron problem, which has been addressed in several recent functionals. H...
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| Published in: | The Journal of chemical physics Vol. 125; no. 20; p. 201102 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
28.11.2006
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| ISSN: | 0021-9606 |
| Online Access: | Get more information |
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