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Tsallis’ entropy as a possible measure of the electron correlation in atomic systems.

Authors :
Flores-Gallegos, N.
Source :
Chemical Physics Letters. Jan2018, Vol. 692, p61-68. 8p.
Publication Year :
2018

Abstract

In this letter, we applied the discrete and continuous Tsallis’ entropy, defined in terms of the occupation numbers and the electron density of atoms in their basal state. Our results show that only the discrete version of this entropy in the interval 0.0 < q < 2.0 gives a consistent behavior with respect to the electron correlation effects of the systems, while the continuous expression in some cases presents negative values, and in general decreases when the correlation effects increase. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00092614
Volume :
692
Database :
Academic Search Index
Journal :
Chemical Physics Letters
Publication Type :
Academic Journal
Accession number :
127639920
Full Text :
https://doi.org/10.1016/j.cplett.2017.12.014