An approach to local electron energy in atoms through Rényi's entropy

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Abstract

In this work, it is presented an approach to the local electron energy of the first thirty-six atoms in their ground state using Rényi's entropy is defined in terms of the electron density in position and momentum spaces. To carry out our study, we calculated and compared the trends obtained from the local functionals of kinetic, exchange, and Coulomb energy, with Rényi's entropy. Our results suggest that Rényi's entropy could be a good option to perform studies on the local behavior of the energy in atoms and also in studies on the electron correlation phenomenon.

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europepmc
last seen: 2026-05-19T01:45:01.086888+00:00
unpaywall
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License: CC-BY-4.0