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Separated-pair approximation and separated-pair pair-density functional theory
Multi-configuration pair-density functional theory (MC-PDFT) has proved to be a powerful way to combine the capabilities of multi-configuration self-consistent-field theory to represent the an electronic wave function with a highly efficient way to include dynamic correlation energy by density funct...
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| Publicado no: | Chem Sci |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society of Chemistry
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6003605/ https://ncbi.nlm.nih.gov/pubmed/29997782 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c5sc03321g |
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