Ro-vibrational energy spectra and thermal properties of some diatomic molecules

• Published in: Molecular physics Vol. 121; no. 22
• Main Authors: Bansal, Munesh, Kumar, Vinod, Singh, Ram Mehar, Bhardwaj, S. B., Chand, Fakir
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 17.11.2023; Taylor & Francis Ltd
• Subjects: Diatomic molecules; eigenspectra; Energy spectra; expectation values; Functional analysis; harmonic plus screened Kratzer potential; Kinetic energy; Nikiforov-Uvarov functional analysis method; partition function; Partitions (mathematics); Schrodinger equation; Schrödinger equation; Thermodynamic properties
• ISSN: 0026-8976; 1362-3028
• DOI: 10.1080/00268976.2023.2232472

The present work deals with the solutions to the radial Schrodinger equation for harmonic plus screened Kratzer potential (HSKP) within the framework of the Nikiforov-Uvarov functional analysis method. The Greene-Aldrich approximation is used to handle the inverse square terms of the HSKP. Reducing the HSKP into Kratzer and screened Kratzer potentials, the energy spectra of selected diatomic molecules, i.e. LiH, HCl, $ {\rm O}_2 $ O 2 and $ {\rm I}_2 $ I 2 are computed. Further, the equations for expectation values of several parameters, including inverse of position ( $ r^{-1} $ r − 1 ), square of inverse of position ( $ r^{-2} $ r − 2 ), kinetic energy (T) and the square of momentum ( $ p^2 $ p 2 ) are obtained invoking the Hellmann-Feynman theorem. Results of this study are consistent with other similar previous studies. The analytical expressions for partition function and other thermodynamic properties of the diatomic molecules are determined.