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

نویسندگان

چکیده

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

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ژورنال

عنوان ژورنال: Journal of Mathematical Chemistry

سال: 2022

ISSN: ['1572-8897', '0259-9791']

DOI: https://doi.org/10.1007/s10910-022-01430-y