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Revised M06 density functional for main-group and transition-metal chemistry
We present a hybrid metageneralized-gradient-approximation functional, revM06, which is based on adding Hartree–Fock exchange to the revM06-L functional form. Compared with the original M06 suite of density functionals, the resulting revM06 functional has significantly improved across-the-board accu...
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| Publicado no: | Proc Natl Acad Sci U S A |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6187147/ https://ncbi.nlm.nih.gov/pubmed/30237285 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1810421115 |
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