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Information Theory and Wigner Crystallization: A Model Perspective
  • David Thompson,
  • James S. M. Anderson,
  • Kalidas Sen
David Thompson
Chemical Computing Group
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James S. M. Anderson
Universidad Nacional Autónoma de México
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Kalidas Sen
University of Hyderabad School of Chemistry
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Abstract

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 characterise 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.

Peer review status:IN REVISION

27 Aug 2020Submitted to International Journal of Quantum Chemistry
28 Aug 2020Submission Checks Completed
28 Aug 2020Assigned to Editor
02 Sep 2020Reviewer(s) Assigned
20 Sep 2020Review(s) Completed, Editorial Evaluation Pending
21 Sep 2020Editorial Decision: Revise Minor
25 Sep 20201st Revision Received
26 Sep 2020Assigned to Editor
26 Sep 2020Submission Checks Completed