\(q\)-Rényi's entropy as a possible measure of electron correlation

DOI10.1007/s10910-021-01268-wzbMath1470.81016OpenAlexW3173534666MaRDI QIDQ2046290

Nelson Flores-Gallegos

Publication date: 17 August 2021

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-021-01268-w

zbMATH Keywords

atomsmolecules\(q\)-calculusRényi's entropyelectron correlationJackson's integral

Mathematics Subject Classification ID

Measures of association (correlation, canonical correlation, etc.) (62H20) Atomic physics (81V45) Inequalities in approximation (Bernstein, Jackson, Nikol'ski?-type inequalities) (41A17) Molecular physics (81V55) Coding theorems (Shannon theory) (94A24) Quantum entropies (81P17)

Related Items (7)

On the information balance in a simple chemical process ⋮ A possible generalization Shannon's entropy using \(q\)-calculus ⋮ An approach to Hammond's principle through Kullback-Leibler's entropy ⋮ An approach to chemical hardness through Shannon's entropy ⋮ An approach to local electron energy in atoms through Rényi's entropy ⋮ A close-up to the bond-breaking and bond-forming using information theory ⋮ Rényi's divergence as a chemical similarity criterion

Uses Software

• GAUSSIAN

Cites Work

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