Triplet Tuning: A Novel Family of Non-Empirical Exchange-Correlation Functionals
In the framework of density functional theory (DFT), the lowest triplet excited state (T 1 ) can be evaluated using multiple formulations, the most straightforward of which are unrestricted density functional theory (UDFT) and time-dependent density functional theory (TDDFT). Assuming the exact exch...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society (ACS),
2020-05-22T14:12:54Z.
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| Subjects: | |
| Online Access: | Get fulltext |