Approximate energy spectra of improved generalized Mobius square potential (IGMSP) for some diatomic hydride molecules

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作者
Uduakobong S. Okorie
Akpan N. Ikot
Ephraim O. Chukwuocha
机构
[1] University of Port Harcourt,Theoretical Physics Group, Department of Physics
[2] University of South Africa,Department of Physics
来源
Journal of Molecular Modeling | 2020年 / 26卷
关键词
Improved generalized Mobius square potential; Diatomic hydrides; Ro-vibrational energies; Schrodinger equation;
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摘要
By employing the dissociation energy and equilibrium bond length as explicit parameters, we obtained the improved generalized Mobius square potential (IGMSP) model. We also defined the IGMSP parameters in terms of the molecular spectroscopic parameters. The IGMSP has been used to model inter-nuclear interaction potential curves for different diatomic hydrides. Furthermore, we have obtained the ro-vibrational energy spectra of the IGMSP model, both analytically and numerically for the selected diatomic hydrides. This was done by employing a Pekeris-type approximation scheme and an appropriate coordinate transformation to solve the Schrodinger equation. Our results have been compared with the experimental Rydberg-Klein-Rees (RKR) data points and the results of Morse potential. We calculated the mean absolute percentage deviation of IGMSP from the experimental RKR data points for the selected diatomic hydrides and that of Morse potential. The effects of the potential parameters, including the vibrational and rotational quantum numbers on the ro-vibrational energies for the different diatomic hydrides, have also been discussed. This study has shown to be highly relevant to the studies of thermodynamic and thermochemical functions of diatomic molecules.
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