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Information theory and Wigner crystallization: A model perspective
Author(s) -
Thompson David C.,
Anderson James S. M.,
Sen K. D.
Publication year - 2021
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.26549
Subject(s) - statistical physics , wave function , information theory , entropy (arrow of time) , physics , radius , range (aeronautics) , semiclassical physics , quantum mechanics , mathematics , computer science , quantum , materials science , statistics , computer security , composite material
Accurate restricted Hartree‐Fock (RHF) wave‐functions are used to investigate information theoretic properties of the model problem of two interacting electrons confined within an infinite spherical potential of radius R . Benchmark quality calculations are performed to characterize this system via a range of information measures as a function of the tunable parameter R , across the full electron correlation regime (low to high correlation; small R to large R ). Both the Shannon information entropy and a statistical complexity measure provide quantitative insight regarding the onset of the formation of a “Wigner molecule” state for this system.