Thermal Responses and the Energy Spectral of Diatomic Molecules Using Nikiforov–Uvarov Methodology

Muhammad Roshanzamir ()
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Muhammad Roshanzamir: Division of Elementary Particles and Field Theory, Department of Physics, Faculty of Basic Sciences, Shahrekord University, Shahrekord 64165478, Iran

Mathematics, 2023, vol. 11, issue 15, 1-18

Abstract: The parametric Nikiforov–Uvarov approach and the Greene–Aldrich approximation scheme were used to achieve approximate analytical solutions to the Schrödinger equation, involving an interaction of the modified deformed Hylleraas potential mixed linearly with the improved Frost–Musulin diatomic molecular potential. For each ℓ -state, the energy spectra and normalized wave functions were generated from the hypergeometric function in the closed form. The thermal properties of such a system, including the vibrational partition function, vibrational mean energy, vibrational mean free energy, vibrational specific heat capacity, and vibrational entropy, were then calculated for the selected diatomic molecules using their experimental spectroscopic parameters. Furthermore, the peculiar conditions of this potential were evaluated, and their energy eigenvalues were calculated for the purpose of comparison. The acquired results were found to be in reasonable agreement with those reported in the literature.

Keywords: thermal properties; Greene–Aldrich approximation; energy spectra; Schrödinger equation (search for similar items in EconPapers)
JEL-codes: C (search for similar items in EconPapers)
Date: 2023
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