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M06-SX screened-exchange density functional for chemistry and solid-state physics
Screened-exchange hybrid density functionals are especially recommended for solid-state systems because they combine the advantages of hybrid functionals with the correct physics and lower computational cost associated with the attenuation of Hartree–Fock exchange at long range. We present a screene...
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| Pubblicato in: | Proc Natl Acad Sci U S A |
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| Autori principali: | , , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
National Academy of Sciences
2020
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7007546/ https://ncbi.nlm.nih.gov/pubmed/31953258 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1913699117 |
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