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Range Separation and Local Hybridization in Density Functional Theory()
Kohn–Sham density functional theory has become a standard method for modeling energetic, spectroscopic, and chemical reactivity properties of large molecules and solids. Density functional theory provides a rigorous theoretical framework for modeling the many-body exchange-correlation effects that d...
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| Publicat a: | J Phys Chem A |
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| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2008
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4892865/ https://ncbi.nlm.nih.gov/pubmed/19006280 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp806573k |
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