Discontinuous Nature of the Exchange-Correlation Functional in Strongly Correlated Systems
Standard approximations for the exchange-correlation functional have been found to give big errors for the linearity condition of fractional charges, leading to delocalization error, and the constancy condition of fractional spins, leading to static correlation error. These two conditions are now un...
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| Published in: | Physical review letters Vol. 102; no. 6; p. 066403 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
13.02.2009
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| ISSN: | 0031-9007, 1079-7114 |
| Online Access: | Get full text |
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