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Fisher and Jensen-Shannon divergences: Quantitative comparisons among distributions. Application to position and momentum atomic densities.

Authors :
Antolín J
Angulo JC
López-Rosa S
Source :
The Journal of chemical physics [J Chem Phys] 2009 Feb 21; Vol. 130 (7), pp. 074110.
Publication Year :
2009

Abstract

The Fisher divergence (FD) and Jensen-Shannon divergence (JSD) are used in this work with the aim of providing quantitative measures of the discrepancies between two arbitrary D-dimensional distribution functions, the FD being of local character and the JSD of global one. In doing so, the concepts of Fisher information and Shannon entropy associated to a distribution are the essential quantities for building up these comparative functionals. This kind of relative measures are here applied to the study of the one-particle densities in both conjugated spaces (position and momentum) of neutral atoms, discussing the results as compared to those provided by other previous functional measures. It is clearly shown how these divergences provide relevant information on the atomic shell structure, up to a level which depends on the considered space and measure.

Details

Language :
English
ISSN :
1089-7690
Volume :
130
Issue :
7
Database :
MEDLINE
Journal :
The Journal of chemical physics
Publication Type :
Academic Journal
Accession number :
19239287
Full Text :
https://doi.org/10.1063/1.3078050