{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/rovibrational-spectroscopy-of-diatomic","title":"Rovibrational Spectroscopy of Diatomic Molecules in a Modified Morse Potential using Nikiforov-Uvarov Functional Analysis","arxiv_id":"2409.06598","date":"2024-09-10","proceeding":null,"authors":["Raghav Sharma","Pragati Ashdhir","Amit Tanwar"],"abstract":"The radial time-independent Schr\\\"odinger equation is solved for the diatomic molecules: H2, LiH, HCl, CO, VH, CrH, CuLi, TiC, NiC, and ScN using the recently developed Nikiforov-Uvarov Functional Analysis (NUFA) method. A modified Morse potential is considered and the Pekeris approximation is used to accommodate the centrifugal term. Accurate energy eigenvalues and eigenfunction solutions are obtained for vibrational ($\\mathit{n}$) and rotational ($\\ell$) states. For H2, LiH, HCl, and CO, excellent agreement is observed between present values and literature, provided that the Pekeris approximation remains valid. For other molecules, a collection of low and high-lying states not found in literature are reported. The NUFA method is a simple, general and accurate approach that may be applied to other interatomic potentials.","url_abs":"https://arxiv.org/abs/2409.06598v2","url_pdf":"https://arxiv.org/pdf/2409.06598v2.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"links_only","authors_date_abstract":"arXiv metadata, CC0 1.0 (https://info.arxiv.org/help/license), from the Kaggle arXiv metadata snapshot of 2026-09-12"},"code_links":[{"paper_slug":"rovibrational-spectroscopy-of-diatomic","repo_url":"https://github.com/raghavsharma1102/Rovibrational_Spectroscopy_NUFA","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":0,"framework":"none","reach":null}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}