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

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Abstract

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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Acknowledgements

We sincerely thank our reviewers for the contributions made to our manuscript through their thorough review.

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Authors and Affiliations

  1. Theoretical Physics Group, Department of Physics, University of Port Harcourt, P. M. B. 5323, Choba, Nigeria

    Uduakobong S. Okorie, Akpan N. Ikot & Ephraim O. Chukwuocha

  2. Department of Physics, University of South Africa, Florida 1710, Johannesburg, South Africa

    Akpan N. Ikot

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  1. Uduakobong S. Okorie
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  2. Akpan N. Ikot
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  3. Ephraim O. Chukwuocha
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Correspondence to Uduakobong S. Okorie.

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Okorie, U.S., Ikot, A.N. & Chukwuocha, E.O. Approximate energy spectra of improved generalized Mobius square potential (IGMSP) for some diatomic hydride molecules. J Mol Model 26, 195 (2020). https://doi.org/10.1007/s00894-020-04449-7

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