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A precise estimation for vibrational energies of diatomic molecules using the improved Rosen–Morse potential

In the context of the generalized fractional derivative, novel solutions to the D-dimensional Schrödinger equation are investigated via the improved Rosen-Morse potential (IRMP). By applying the Pekeris-type approximation to the centrifugal term, the generalized fractional Nikiforov-Uvarov method ha...

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Autores principales: Abu-Shady, M., Khokha, E. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10354199/
https://www.ncbi.nlm.nih.gov/pubmed/37463934
http://dx.doi.org/10.1038/s41598-023-37888-2
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author Abu-Shady, M.
Khokha, E. M.
author_facet Abu-Shady, M.
Khokha, E. M.
author_sort Abu-Shady, M.
collection PubMed
description In the context of the generalized fractional derivative, novel solutions to the D-dimensional Schrödinger equation are investigated via the improved Rosen-Morse potential (IRMP). By applying the Pekeris-type approximation to the centrifugal term, the generalized fractional Nikiforov-Uvarov method has been used to derive the analytical formulations of the energy eigenvalues and wave functions in terms of the fractional parameters in D-dimensions. The resulting solutions are employed for a variety of diatomic molecules (DMs), which have numerous uses in many fields of physics. With the use of molecular parameters, the IRMP is utilized to reproduce potential energy curves for numerous DMs. The pure vibrational energy spectra for several DMs are determined using both the fractional and the ordinary forms to demonstrate the effectiveness of the method utilized in this work. As compared to earlier investigations, it has been found that our estimated vibrational energies correspond with the observed Rydberg-Klein-Rees (RKR) data much more closely. Moreover, it is observed that the vibrational energy spectra of different DMs computed in the existence of fractional parameters are superior to those computed in the ordinary case for fitting the observed RKR data. Thus, it may be inferred that fractional order significantly affects the vibrational energy levels of DMs. Both the mean absolute percentage deviation (MAPD) and average absolute deviation (AAD) are evaluated as the goodness of fit indicators. According to the estimated AAD and MAPD outcomes, the IRMP is an appropriate model for simulating the RKR data for all of the DMs under investigation.
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spelling pubmed-103541992023-07-20 A precise estimation for vibrational energies of diatomic molecules using the improved Rosen–Morse potential Abu-Shady, M. Khokha, E. M. Sci Rep Article In the context of the generalized fractional derivative, novel solutions to the D-dimensional Schrödinger equation are investigated via the improved Rosen-Morse potential (IRMP). By applying the Pekeris-type approximation to the centrifugal term, the generalized fractional Nikiforov-Uvarov method has been used to derive the analytical formulations of the energy eigenvalues and wave functions in terms of the fractional parameters in D-dimensions. The resulting solutions are employed for a variety of diatomic molecules (DMs), which have numerous uses in many fields of physics. With the use of molecular parameters, the IRMP is utilized to reproduce potential energy curves for numerous DMs. The pure vibrational energy spectra for several DMs are determined using both the fractional and the ordinary forms to demonstrate the effectiveness of the method utilized in this work. As compared to earlier investigations, it has been found that our estimated vibrational energies correspond with the observed Rydberg-Klein-Rees (RKR) data much more closely. Moreover, it is observed that the vibrational energy spectra of different DMs computed in the existence of fractional parameters are superior to those computed in the ordinary case for fitting the observed RKR data. Thus, it may be inferred that fractional order significantly affects the vibrational energy levels of DMs. Both the mean absolute percentage deviation (MAPD) and average absolute deviation (AAD) are evaluated as the goodness of fit indicators. According to the estimated AAD and MAPD outcomes, the IRMP is an appropriate model for simulating the RKR data for all of the DMs under investigation. Nature Publishing Group UK 2023-07-18 /pmc/articles/PMC10354199/ /pubmed/37463934 http://dx.doi.org/10.1038/s41598-023-37888-2 Text en © The Author(s) 2023 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
Abu-Shady, M.
Khokha, E. M.
A precise estimation for vibrational energies of diatomic molecules using the improved Rosen–Morse potential
title A precise estimation for vibrational energies of diatomic molecules using the improved Rosen–Morse potential
title_full A precise estimation for vibrational energies of diatomic molecules using the improved Rosen–Morse potential
title_fullStr A precise estimation for vibrational energies of diatomic molecules using the improved Rosen–Morse potential
title_full_unstemmed A precise estimation for vibrational energies of diatomic molecules using the improved Rosen–Morse potential
title_short A precise estimation for vibrational energies of diatomic molecules using the improved Rosen–Morse potential
title_sort precise estimation for vibrational energies of diatomic molecules using the improved rosen–morse potential
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10354199/
https://www.ncbi.nlm.nih.gov/pubmed/37463934
http://dx.doi.org/10.1038/s41598-023-37888-2
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