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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Detalles Bibliográficos
Autores principales: Toader, Ana Maria, Buta, Maria Cristina, Maftei, Dan, Putz, Mihai V., Cimpoesu, Fanica
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6929028/
https://www.ncbi.nlm.nih.gov/pubmed/31779138
http://dx.doi.org/10.3390/ijms20235943

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