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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6929028/ https://www.ncbi.nlm.nih.gov/pubmed/31779138 http://dx.doi.org/10.3390/ijms20235943 |