Thermodynamic Properties of Diatomic Molecules from the Frost-Musulin Potential

Thermodynamic Properties of Diatomic Molecules from the Frost-Musulin Potential | Authorea try { document.documentElement.classList.add('js'); } catch (e) { } var _gaq = _gaq || []; _gaq.push(['_setAccount', 'G-8VDV14Y67G']); _gaq.push(['_trackPageview']); (function() { var ga = document.createElement('script'); ga.type = 'text/javascript'; ga.async = true; ga.src = ('https:' == document.location.protocol ? 'https://ssl' : 'http://www') + '.google-analytics.com/ga.js'; var s = document.getElementsByTagName('script')[0]; s.parentNode.insertBefore(ga, s); })(); Skip to main content Preprints Collections Wiley Open Research IET Open Research Ecological Society of Japan All Collections About About Authorea FAQs Contact Us Quick Search anywhere Search for preprint articles, keywords, etc. Search Search ADVANCED SEARCH SCROLL This is a preprint and has not been peer reviewed. Data may be preliminary. 7 April 2025 V1 Latest version Share on Thermodynamic Properties of Diatomic Molecules from the Frost-Musulin Potential Authors : M. Parsanasab , Reza Khordad 0000-0001-5180-2650 , M. Asadipour , A. Ghanbari , and V. H. Badalov 0000-0002-5468-1978 [email protected] Authors Info & Affiliations https://doi.org/10.22541/au.174400399.91562582/v1 279 views 172 downloads Contents Abstract Supplementary Material Information & Authors Metrics & Citations View Options References Figures Tables Media Share Abstract In this study, we report a complete theoretical analysis of both quantum mechanical and thermodynamic behaviors for the diatomic molecules H 2 and LiH, modeling with the Frost-Musulin potential. The Schrödinger equation is solved analytically by the Nikiforov-Uvarov method, providing the energy eigenvalues for thermodynamic evolution used to calculate the specific heat capacity, the entropy, the internal energy, and the free energy in a broad-temperature range. The calculated results are found to accord well with the experimentally reported values, especially at high temperatures, which verifies the effectiveness of Frost-Musulin potential as a model for diatomic molecular thermodynamics. However, significant deviations from the predictions are seen at lower temperatures, suggesting substantial improvement fields to account for the inharmonic and quantum effects in diatomic systems. The insights inferred will be of significant value for molecular thermodynamics by providing a congruous platform making the FM potential useful for both fundamental quantum mechanical modeling as well as applied research within the domain of statistical thermodynamics. Supplementary Material File (thermal-frost-musulin-potential-2025.04.05-vb.pdf) Download 309.28 KB Information & Authors Information Version history V1 Version 1 07 April 2025 Copyright This work is licensed under a Non Exclusive No Reuse License. Keywords diatomic molecules frost-musulin potential nikiforov-uvarov thermal properties Authors Affiliations M. Parsanasab Yasouj University View all articles by this author Reza Khordad 0000-0001-5180-2650 Yasouj University View all articles by this author M. Asadipour Yasouj University View all articles by this author A. Ghanbari Yasouj University View all articles by this author V. H. Badalov 0000-0002-5468-1978 [email protected] Baku State University Institute for Physical Problems View all articles by this author Metrics & Citations Metrics Article Usage 279 views 172 downloads .FvxKWukQNSOunydq8rnd { width: 100px; } Citations Download citation M. Parsanasab, Reza Khordad, M. Asadipour, et al. Thermodynamic Properties of Diatomic Molecules from the Frost-Musulin Potential. Authorea . 07 April 2025. DOI: https://doi.org/10.22541/au.174400399.91562582/v1 If you have the appropriate software installed, you can download article citation data to the citation manager of your choice. Simply select your manager software from the list below and click Download. For more information or tips please see 'Downloading to a citation manager' in the Help menu . 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