Shannon information entropy with improved Kratzer potential under the effects of magnetic and Aharonov-Bohm flux fields

Abstract

In this research article, the influence of magnetic and Aharonov-Bohm flux fields on Shannon entropy with improved Kratzer potential for Scandium fluoride (ScF) and hydrogen (H2) molecules are studied analytically and numerically for three low-lying states. The wave function and probability density which controls the chemical and physical properties of atomic and molecular systems have been obtained by solving the Schrodinger wave equation coupled with charged particle Hamiltonian via the Nikiforov-Uvarov functional analysis method. The total normalized wave function was expressed in terms of the hypergeometric function of Jacobi polynomials and then utilized to evaluate the Shannon entropy for two diatomic molecules in position and momentum spaces. The wave function and electronic densities were graphically analyzed. Our numerical results of Shannon entropies sum as applied to ScF and H2 were verified to obey the Shannon-entropy-based uncertainty relation. Observations from our results also reveal negative values of Shannon entropies in the position coordinates depicting high localization of particles and stability. In Addition, the effects of the external fields on the quantum systems were observed to influence the quantum information-theoretic measure by small decrements in the Shannon entropy values when compared to the case of the absence of the external fields, indicating a further improvement in the localization of particles and system's stability. This work has applications in atomic and molecular dynamic, molecular drug design, nanostructure processes, information technology, amongst others.