English

Information-entropic measures in free and confined hydrogen atom

Quantum Physics 2019-04-05 v1 Atomic Physics

Abstract

Shannon entropy (SS), R{\'e}nyi entropy (RR), Tsallis entropy (TT), Fisher information (II) and Onicescu energy (EE) have been explored extensively in both \emph{free} H atom (FHA) and \emph{confined} H atom (CHA). For a given quantum state, accurate results are presented by employing respective \emph{exact} analytical wave functions in rr space. The pp-space wave functions are generated from respective Fourier transforms-for FHA these can be expressed analytically in terms of Gegenbauer polynomials, whereas in CHA these are computed numerically. \emph{Exact} mathematical expressions of Rrα,RpβR_r^{\alpha}, R_p^{\beta}, Trα,Tpβ,Er,EpT_r^{\alpha}, T_p^{\beta}, E_r, E_p are derived for \emph{circular} states of a FHA. Pilot calculations are done taking order of entropic moments (α,β\alpha, \beta) as (35,3)(\frac{3}{5}, 3) in rr and pp spaces. A detailed, systematic analysis is performed for both FHA and CHA with respect to state indices n,ln,l, and with confinement radius (rcr_c) for the latter. In a CHA, at small rcr_{c}, kinetic energy increases, whereas S\rvec,R\rvecαS_{\rvec}, R^{\alpha}_{\rvec} decrease with growth of nn, signifying greater localization in high-lying states. At moderate rcr_{c}, there exists an interplay between two mutually opposing factors: (i) radial confinement (localization) and (ii) accumulation of radial nodes with growth of nn (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.

Keywords

Cite

@article{arxiv.1801.05172,
  title  = {Information-entropic measures in free and confined hydrogen atom},
  author = {Neetik Mukherjee and Amlan K. Roy},
  journal= {arXiv preprint arXiv:1801.05172},
  year   = {2019}
}