Explicit demonstration of the equivalence between DFT+U and the Hartree-Fock limit of DFT+DMFT
Several methods have been developed to improve the predictions of density functional theory (DFT) in the case of strongly correlated electron systems. Out of these approaches, DFT+U, which corresponds to a static treatment of the local interaction, and DFT combined with dynamical mean field theory (...
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| Main Authors: | , , , , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
American Physical Society
2025-03-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.7.013289 |
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