Mutual information and electron correlation in momentum space

Mutual information and information entropies in momentum space are proposed as measures of the nonlocal aspects of information. Singlet and triplet state members of the helium isoelectronic series are employed to examine Coulomb and Fermi correlations, and their manifestations, in both the position...

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Veröffentlicht in:The Journal of chemical physics 2006-04, Vol.124 (13), p.134101-134101-9
Hauptverfasser: Sagar, Robin P., Guevara, Nicolais L.
Format: Artikel
Sprache:eng
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Zusammenfassung:Mutual information and information entropies in momentum space are proposed as measures of the nonlocal aspects of information. Singlet and triplet state members of the helium isoelectronic series are employed to examine Coulomb and Fermi correlations, and their manifestations, in both the position and momentum space mutual information measures. The triplet state measures exemplify that the magnitude of the spatial correlations relative to the momentum correlations depends on and may be controlled by the strength of the electronic correlation. The examination of one- and two-electron Shannon entropies in the triplet state series yields a crossover point, which is characterized by a localized momentum density. The mutual information density in momentum space illustrates that this localization is accompanied by strong correlation at small values of p .
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2180777