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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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Detalhes bibliográficos
Publicado no:Phys Chem Chem Phys
Main Authors: Janesko, Benjamin G., Henderson, Thomas M., Scuseria, Gustavo E.
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
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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