Information theory and Wigner crystallization: A model perspective

被引：3
作者：
Thompson, David C. [1 ]
Anderson, James S. M. [2 ]
Sen, K. D. [3 ]
机构：
[1] Chem Comp Grp, Montreal, PQ H3A 2R7, Canada
[2] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City, DF, Mexico
[3] Univ Hyderabad, Sch Chem, Hyderabad, India
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2021年 / 121卷 / 07期
关键词：
information theory; particles‐ in‐ a‐ box; restricted Hartree‐ Fock; statistical complexity; FISHER-SHANNON INFORMATION; 2 INTERACTING ELECTRONS; CONFINED HYDROGEN; STATISTICAL COMPLEXITY; DENSITY FUNCTIONALS; MOLECULES; STATES;
D O I：
10.1002/qua.26549
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
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页数：11
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