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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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| Publicado no: | Phys Chem Chem Phys |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2008
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| Assuntos: | |
| Acesso em linha: | 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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