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Mutual Information in Conjugate Spaces for Neutral Atoms and Ions

The discrepancy among one-electron and two-electron densities for diverse N-electron atomss, enclosing neutral systems (with nuclear charge [Formula: see text]) and charge-one ions ([Formula: see text]), is quantified by means of mutual information, I, and Quantum Similarity Index, [Formula: see tex...

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Detalles Bibliográficos
Autores principales: Angulo, Juan Carlos, López-Rosa, Sheila
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8871140/
https://www.ncbi.nlm.nih.gov/pubmed/35205526
http://dx.doi.org/10.3390/e24020233