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Local and global interpolations along the adiabatic connection of DFT: a study at different correlation regimes
Interpolating the exchange–correlation energy along the density-fixed adiabatic connection of density functional theory is a promising way to build approximations that are not biased toward the weakly correlated regime. These interpolations can be performed at the global (integrated over all spaces)...
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| Publicado no: | Theor Chem Acc |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer Berlin Heidelberg
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6223841/ https://ncbi.nlm.nih.gov/pubmed/30464722 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00214-018-2354-5 |
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