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Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator

In this study, a diatomic molecule interacting potential such as the deformed Schiöberg oscillator (DSO) have been applied to diatomic systems. By solving the Schrödinger equation with the DSO, analytical equations for energy eigenvalues, molar entropy, molar enthalpy, molar Gibbs free energy and co...

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Autores principales: Ahmed, A. D., Eyube, E. S., Omugbe, E., Onate, C. A., Timtere, P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10663450/
https://www.ncbi.nlm.nih.gov/pubmed/37989877
http://dx.doi.org/10.1038/s41598-023-47235-0
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author Ahmed, A. D.
Eyube, E. S.
Omugbe, E.
Onate, C. A.
Timtere, P.
author_facet Ahmed, A. D.
Eyube, E. S.
Omugbe, E.
Onate, C. A.
Timtere, P.
author_sort Ahmed, A. D.
collection PubMed
description In this study, a diatomic molecule interacting potential such as the deformed Schiöberg oscillator (DSO) have been applied to diatomic systems. By solving the Schrödinger equation with the DSO, analytical equations for energy eigenvalues, molar entropy, molar enthalpy, molar Gibbs free energy and constant pressure molar heat capacity are obtained. The obtained equations were used to analyze the physical properties of diatomic molecules. With the aid of the DSO, the percentage average absolute deviation (PAAD) of computed data from the experimental data of the (7)Li(2) (2 (3)Π(g)), NaBr (X (1)Σ(+)), KBr (X (1)Σ(+)) and KRb (B (1)Π) molecules are 1.3319%, 0.2108%, 0.2359% and 0.8841%, respectively. The PAAD values obtained by employing the equations of molar entropy, scaled molar enthalpy, scaled molar Gibbs free energy and isobaric molar heat capacity are 1.2919%, 1.5639%, 1.5957% and 2.4041%, respectively, from the experimental data of the KBr (X (1)Σ(+)) molecule. The results for the potential energies, bound-state energy spectra, and thermodynamic functions are in good agreement with the literature on diatomic molecules.
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spelling pubmed-106634502023-11-21 Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator Ahmed, A. D. Eyube, E. S. Omugbe, E. Onate, C. A. Timtere, P. Sci Rep Article In this study, a diatomic molecule interacting potential such as the deformed Schiöberg oscillator (DSO) have been applied to diatomic systems. By solving the Schrödinger equation with the DSO, analytical equations for energy eigenvalues, molar entropy, molar enthalpy, molar Gibbs free energy and constant pressure molar heat capacity are obtained. The obtained equations were used to analyze the physical properties of diatomic molecules. With the aid of the DSO, the percentage average absolute deviation (PAAD) of computed data from the experimental data of the (7)Li(2) (2 (3)Π(g)), NaBr (X (1)Σ(+)), KBr (X (1)Σ(+)) and KRb (B (1)Π) molecules are 1.3319%, 0.2108%, 0.2359% and 0.8841%, respectively. The PAAD values obtained by employing the equations of molar entropy, scaled molar enthalpy, scaled molar Gibbs free energy and isobaric molar heat capacity are 1.2919%, 1.5639%, 1.5957% and 2.4041%, respectively, from the experimental data of the KBr (X (1)Σ(+)) molecule. The results for the potential energies, bound-state energy spectra, and thermodynamic functions are in good agreement with the literature on diatomic molecules. Nature Publishing Group UK 2023-11-21 /pmc/articles/PMC10663450/ /pubmed/37989877 http://dx.doi.org/10.1038/s41598-023-47235-0 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
Ahmed, A. D.
Eyube, E. S.
Omugbe, E.
Onate, C. A.
Timtere, P.
Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator
title Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator
title_full Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator
title_fullStr Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator
title_full_unstemmed Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator
title_short Bound-state energy spectrum and thermochemical functions of the deformed Schiöberg oscillator
title_sort bound-state energy spectrum and thermochemical functions of the deformed schiöberg oscillator
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10663450/
https://www.ncbi.nlm.nih.gov/pubmed/37989877
http://dx.doi.org/10.1038/s41598-023-47235-0
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