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Comparison of the performance of exact-exchange-based density functional methods
How to describe nondynamic electron correlation is still a major challenge to density functional theory (DFT). Recent models designed particularly for this problem, such as Becke'05 (B05) and Perdew-Staroverov-Tao-Scuseria (PSTS) functionals employ the exact-exchange density, the efficient calc...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3465352/ https://ncbi.nlm.nih.gov/pubmed/22998246 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4752396 |
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