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Improved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlation
In a recent letter [E. Proynov, Y. Shao, and J. Kong, Chem. Phys. Lett. 493, 381 (2010)10.1016/j.cplett.2010.05.029], Becke's B05 model of nondynamic electron correlation in density functional theory was implemented self-consistently with computational efficiency (the “SCF-RI-B05” scheme). Impo...
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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/PMC3272064/ https://ncbi.nlm.nih.gov/pubmed/22280739 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3676726 |
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