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q-Rényi’s entropy as a possible measure of electron correlation

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Abstract

In this work, we presented a generalization of Rényi’s entropy using Jackson’s integral to obtain an expression linked to the electronic correlation; as study cases, we analyzed the first thirty-six atoms in their ground state and a set of 1842 molecules. The results obtained in this work show that our proposal of q-Rényi’s entropy is directly related to the electron correlation.

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Notes

  1. We consider it worthwhile to mention that this area of mathematics has no relationship with the so-called q-operations defined by Borges [53] or with the work of Tsallis.

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Acknowledgements

The author wish to thank the CONACyT, the PRODEP-SEP program for support.

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  1. Centro Universitario de los Valles, Universidad de Guadalajara, Carretera Guadalajara - Ameca Km. 45.5, C.P. 46600, Ameca, Jalisco, México

    N. Flores-Gallegos

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Flores-Gallegos, N. q-Rényi’s entropy as a possible measure of electron correlation. J Math Chem 59, 1822–1835 (2021). https://doi.org/10.1007/s10910-021-01268-w

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