Energy spectra, expectation values, and thermodynamic properties of hcl and lih diatomic molecules

Abstract

The Schrödinger equation is solved by applying the Nikiforov-Uvarov-Functional Analysis method to the Hulthén plus screened Kratzer Potential. The Greene-Aldrich approximation is employed to determine the closed form expressions for the energy equation and the wave function. The Hellmann-Feynman theorem was employed to calculate the energy spectra and expectation values of various quantum states for diatomic molecules of HCl and LiH. Subsequently, we employed the energy equation that we had previously derived to compute the partition function, which in turn enabled us to determine the thermodynamic properties associated with the diatomic molecules. The partition function for the diatomic molecules of 2 H and LiH was calculated at different temperatures. The results indicate that the partition function of the two diatomic molecules rose as the temperature increased. The findings we obtained align with the results documented in the literature.