Information-entropic measures in free and confined hydrogen atom

被引:61
|
作者
Mukherjee, Neetik [1 ]
Roy, Amlan K. [1 ]
机构
[1] Indian Inst Sci Educ & Res IISER Kolkata, Dept Chem Sci, Nadia 741246, WB, India
关键词
confined hydrogen atom; Fisher information; free hydrogen atom; Onicescu energy; Renyi entropy; Shannon entropy; Tsallis entropy; FISHER-SHANNON INFORMATION; HARMONIC-OSCILLATOR; QUANTUM CONFINEMENT; ENERGY EIGENVALUES; TSALLIS ENTROPY; POSITION; SYSTEMS; POTENTIALS;
D O I
10.1002/qua.25596
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
Shannon entropy (S), Renyi entropy (R), Tsallis entropy (T), Fisher information (I), and Onicescu energy (E) have been explored extensively in both free H atom (FHA) and confined H atom (CHA). For a given quantum state, accurate results are presented by employing respective exact analytical wave functions in r space. The p-space wave functions are generated from respective Fourier transformsfor FHA these can be expressed analytically in terms of Gegenbauer polynomials, whereas in CHA these are computed numerically. Exact mathematical expressions of RrTrEp are derived for circular states of a FHA. Pilot calculations are done taking order of entropic moments (, ) as (35,3) in r and p spaces. A detailed, systematic analysis is performed for both FHA and CHA with respect to state indices n, l, and with confinement radius (r(c)) for the latter. In a CHA, at small r(c), kinetic energy increases, whereas decrease with growth of n, signifying greater localization in high-lying states. At moderate r(c), there exists an interplay between two mutually opposing factors: (i) radial confinement (localization) and (ii) accumulation of radial nodes with growth of n (delocalization). Most of these results are reported here for the first time, revealing many new interesting features. Comparison with literature results, wherever possible, offers excellent agreement.
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页数:21
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