Regular Article

Information-entropic measures for non-zero l states of confined hydrogen-like ions^★

Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur 741246, Nadia, WB, India

^a e-mail: akroy6k@gmail.com

Received: 7 March 2018
Received in final form: 4 April 2018
Published online: 19 June 2018

Abstract

Rényi entropy (R), Tsallis entropy (T), Shannon entropy (S), and Onicescu energy (E) are studied in a spherically confined H atom (CHA), in conjugate space, with special emphasis on non-zero l states. Representative calculations are done by employing exact analytical wave functions in r space. Accurate p space-wave functions are generated numerically by performing Fourier transform on respective r-space counterparts. These are extended for H-isoelectronic series by applying the scaling relations. R, T are evaluated by choosing the order of entropic moments (α, β) as (3/5, 3) in r and p spaces. Detailed, systematic results of all these measures with respect to variations of confinement radii r_c are offered for arbitrary n, l quantum numbers. For a given n, at small r_c, R_r^α, T_r^α, S_r collapse with rise of l, attain a minimum, then again grow up. Growth in r_c shifts the point of inflection towards higher l values. An increase in Z enhances localization of a particular state. Several other new interesting inferences are uncovered. Comparison with literature results (available only for S in 2p, 3d states), offers excellent agreement.