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Atoms in Generalized Orbital Configurations: Towards Atom-Dedicated Density Functionals
Deriving a practical formula for the atomic body with generalized shell occupations, we perform a detective analysis of the radial distribution in the exchange energy, hinting at ideas about new types of density functionals, dedicated to the specifics of the electronic structure of atoms, exploiting...
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| Publicado no: | Int J Mol Sci |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6929028/ https://ncbi.nlm.nih.gov/pubmed/31779138 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms20235943 |
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