Information Entropies for H2 and ScF Diatomic Molecules with Deng- Fan-Eckart Potential

Abstract

In this study, the Shannon entropy and the Fisher information is investigated with molecular Deng-Fan-Eckart potential for the diatomic molecules and ScF in position and momentum spaces in three dimensions for the ground and the excited states. The results were numerically obtained for diatomic molecules. Localization is observed for Shannon entropy and delocalization for Fisher information for both molecules in the position and momentum spaces. The uncertainty relations for the selected diatomic molecules were satisfied accordingly.

The Schrödinger Equation with Deng-Fan-Eckart Potential (DFEP): Nikiforov-Uvarov-Functional Analysis (NUFA) Method

“…The numerical energy values obtained by adopting the experimental fitting parameters are presented in Table II and Table III for several vibrational and rotational quantum numbers. To firmly establish the validity and accuracy of our results, the numerical energy is compared with the results of Edet et al [15] and from observation, it is clearly seen that there is an excellent agreement. CO [15] ScN [15] ScF [15] ( )…”

“…( 27) for different quantum numbers n and with for four Diatomic molecules ( 2 H , CO , ScN and ScF ). To achieve this objective, spectroscopic parameters shown in Table I are adopted from the NIST database and the following conversions: Å are used [15]. The numerical energy values obtained by adopting the experimental fitting parameters are presented in Table II and Table III for several vibrational and rotational quantum numbers.…”

“…For instance, Ikot et al [14] in a maiden study solved the Dirac equation under spin and pseudo-spin symmetries with Deng-Fan-Eckart potential with Coulomb-like and Yukawa-like tensor interaction terms using the Nikiforov-Uvarov method [14]. Edet et al [15] applied the model to study the diatomic molecules and its thermal properties. Amadi et al [15] applied this model study the information entropies for H2 and ScF diatomic molecules.…”

“…Edet et al [15] applied the model to study the diatomic molecules and its thermal properties. Amadi et al [15] applied this model study the information entropies for H2 and ScF diatomic molecules.…”

“…In view of the above, this study will focus on the solutions of the SE with DFEP using the NUFA. The results will be compared with that of Edet et al [15] to show the efficiency of this method.…”