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Screened hybrid density functionals for solid-state chemistry and physics
Density functional theory incorporating hybrid exchange–correlation functionals has been extraordinarily successful in providing accurate, computationally tractable treatments of molecular properties. However, conventional hybrid functionals can be problematic for solids. Their nonlocal, Hartree–Foc...
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| Pubblicato in: | Phys Chem Chem Phys |
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| Autori principali: | , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2008
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4871152/ https://ncbi.nlm.nih.gov/pubmed/19283261 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/b812838c |
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