Journal of Theoretical and Computational Chemistry

Eigensolutions and theoretic quantities under the nonrelativistic wave equation

C. A. Onate, Leke Sunday Adebiyi, Deborah Temitope Bankole

Published Mar 1, 2020• 1 citation

Abstract

The radial Schrödinger equation was solved with the combination of three important potentials with [Formula: see text] as deformed parameter via the parametric Nikiforov–Uvarov method and the energy equation as well as the corresponding normalized radial wave function were obtained in close and compact form. The energy equation obtained was used to study eight molecules. The effect of the deformed parameter on energy eigenvalues was also studied numerically. The subset of the combined potential was also studied numerically and the results were found to be in agreement with the previous results. To extend the application of our work, the wave function obtained was used to calculate some theoretic quantities such as the Tsallis entropy, Rényi entropy and information energy. By putting the Tsallis index to 2, we deduced the information energy from Tsallis entropy. Finally, the effect of the deformed parameter and screening parameter, respectively, on the theoretic quantities were also studied.

DOI: 10.1142/s0219633620500078

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