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Non-relativistic molecular modified shifted Morse potential system

A shifted Morse potential model is modified to fit the study of the vibrational energies of some molecules. Using a traditional technique/methodology, the vibrational energy and the un-normalized radial wave functions were calculated for the modified shifted Morse potential model. The condition that...

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Autores principales: Onate, C. A., Okon, I. B., Vincent, U. E., Eyube, E. S., Onyeaju, M. C., Omugbe, E., Egharevba, G. O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9452569/
https://www.ncbi.nlm.nih.gov/pubmed/36071068
http://dx.doi.org/10.1038/s41598-022-19179-4
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author Onate, C. A.
Okon, I. B.
Vincent, U. E.
Eyube, E. S.
Onyeaju, M. C.
Omugbe, E.
Egharevba, G. O.
author_facet Onate, C. A.
Okon, I. B.
Vincent, U. E.
Eyube, E. S.
Onyeaju, M. C.
Omugbe, E.
Egharevba, G. O.
author_sort Onate, C. A.
collection PubMed
description A shifted Morse potential model is modified to fit the study of the vibrational energies of some molecules. Using a traditional technique/methodology, the vibrational energy and the un-normalized radial wave functions were calculated for the modified shifted Morse potential model. The condition that fits the modified potential for molecular description were deduced together with the expression for the screening parameter. The vibrational energies of SiC, NbO, CP, PH, SiF, NH and Cs(2) molecules were computed by inserting their respective spectroscopic constants into the calculated energy equation. It was shown that the calculated results for all the molecules agreement perfectly with the experimental RKR values. The present potential performs better than Improved Morse and Morse potentials for cesium dimer. Finally, the real Morse potential model was obtained as a special case of the modified shifted potential.
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spelling pubmed-94525692022-09-09 Non-relativistic molecular modified shifted Morse potential system Onate, C. A. Okon, I. B. Vincent, U. E. Eyube, E. S. Onyeaju, M. C. Omugbe, E. Egharevba, G. O. Sci Rep Article A shifted Morse potential model is modified to fit the study of the vibrational energies of some molecules. Using a traditional technique/methodology, the vibrational energy and the un-normalized radial wave functions were calculated for the modified shifted Morse potential model. The condition that fits the modified potential for molecular description were deduced together with the expression for the screening parameter. The vibrational energies of SiC, NbO, CP, PH, SiF, NH and Cs(2) molecules were computed by inserting their respective spectroscopic constants into the calculated energy equation. It was shown that the calculated results for all the molecules agreement perfectly with the experimental RKR values. The present potential performs better than Improved Morse and Morse potentials for cesium dimer. Finally, the real Morse potential model was obtained as a special case of the modified shifted potential. Nature Publishing Group UK 2022-09-07 /pmc/articles/PMC9452569/ /pubmed/36071068 http://dx.doi.org/10.1038/s41598-022-19179-4 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Onate, C. A.
Okon, I. B.
Vincent, U. E.
Eyube, E. S.
Onyeaju, M. C.
Omugbe, E.
Egharevba, G. O.
Non-relativistic molecular modified shifted Morse potential system
title Non-relativistic molecular modified shifted Morse potential system
title_full Non-relativistic molecular modified shifted Morse potential system
title_fullStr Non-relativistic molecular modified shifted Morse potential system
title_full_unstemmed Non-relativistic molecular modified shifted Morse potential system
title_short Non-relativistic molecular modified shifted Morse potential system
title_sort non-relativistic molecular modified shifted morse potential system
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9452569/
https://www.ncbi.nlm.nih.gov/pubmed/36071068
http://dx.doi.org/10.1038/s41598-022-19179-4
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