@misc{10481/72872,
year = {2022},
month = {2},
url = {http://hdl.handle.net/10481/72872},
abstract = {The discrepancy among one-electron and two-electron densities for diverse N-electron atomss, enclosing neutral systems (with nuclear charge Z = N) and charge-one ions (|N − Z| = 1), is quantified by means of mutual information, I, and Quantum Similarity Index, QSI, in the conjugate spaces position/momentum. These differences can be interpreted as a measure of the electron correlation of the system. The analysis is carried out by considering systems with a nuclear charge up to Z = 103 and singly charged ions (cations and anions) as far as N = 54. The interelectronic correlation, for any given system, is quantified through the comparison of its double-variable electron pair density and the product of the respective one-particle densities. An in-depth study along the Periodic Table reveals the importance, far beyond the weight of the systems considered, of their shell structure.},
organization = {Andalusian research groups

FQM-207, FQM-239, FQM-4643, FQM-7276},
organization = {ERDF-University of Granada},
organization = {Junta de Andalucía

A-FQM-52-UGR20},
publisher = {MDPI},
keywords = {Mutual information},
keywords = {Quantum similarity index},
keywords = {Electron correlation},
keywords = {Multielectronic systems},
title = {Mutual Information in Conjugate Spaces for Neutral Atoms and Ions},
doi = {10.3390/e24020233},
author = {Angulo Ibáñez, Juan Carlos and López Rosa, Sheila},
}