Generalized divergences from generalized entropies

Riveaud, Leonardo Esteban; Mateos, Diego M.; Zozor, Steeve; Lamberti, Pedro W.

doi:10.1016/j.physa.2018.06.111

Cited by 1 publication

(1 citation statement)

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“…The JSD is characterized for quantifying the "Shannon entropy excess" of a couple of distributions with respect to the mixture of their respective entropies (mean density), defined in Eq. ( 7) as a particular case of the so-called weighted generalized divergences [54] with identical weights 1/2. Apart from preserving the global character of the Shannon entropy, the JSD possesses the main properties required for a measure to be interpreted as an informational distance.…”

Section: Electron Pair Densities and Related Measuresmentioning

confidence: 99%

Analysis of correlation and ionization from pair distributions in many-electron systems

et al. 2021

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Jensen–Shannon divergence is used to quantify the discrepancy between the Hartree–Fock pair density and the product of its marginals for different N-electron systems, enclosing neutral atoms (with nuclear charge $$Z=N$$ Z = N ) and singly-charged ions ($$N = Z \pm 1$$ N = Z ± 1 ). This divergence measure is applied to determine the interelectronic correlation in atomic systems. A thorough study was carried out, by considering (i) both position and momentum conjugated spaces, and (ii) systems with a nuclear charge as far as $$Z = 103$$ Z = 103 . The correlation among electrons was measured by comparing, for an arbitrary system, the double-variable electron-pair density with the product of the respective one-particle densities. A detailed analysis throughout the Periodic Table highlights the relevance not only of weightiness for the systems considered, but also of their shell structure. Besides, comparative computations between two-electron densities of different atomic systems (neutrals, cations, anions) quantify their dissimilarities, patently governed by shell-filling patterns throughout the Periodic Table.

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Section: Electron Pair Densities and Related Measuresmentioning

confidence: 99%