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Empirical rovibrational energy levels for methane

Kefala, Kyriaki; Boudon, Vincent; Yurchenko, Sergei N; Tennyson, Jonathan; (2024) Empirical rovibrational energy levels for methane. Journal of Quantitative Spectroscopy and Radiative Transfer , 316 , Article 108897. 10.1016/j.jqsrt.2024.108897. (In press). Green open access

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Abstract

A Marvel (Measured Active Rotational Vibrational Energy Levels) analysis of the available spectroscopic data on methane (¹²C ¹H₄ ) is performed. A total of 82173 measured rovibrational transitions were gathered from 96 literature sources and put through the Marvel procedure which led to the determination of 23292 empirical energy levels with uncertainties, up to 9900 cm⁻¹ covering the lowest eight polyads. A comparison with Effective Hamiltonian evaluated levels, variational calculations by the TheoReTS project, and the MeCaSDa database is performed. The new levels generated will be used to improve the upcoming ExoMol MM line list.

Type: Article
Title: Empirical rovibrational energy levels for methane
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.jqsrt.2024.108897
Publisher version: https://doi.org/10.1016/j.jqsrt.2024.108897
Language: English
Additional information: © The Author(s), 2024. This is an Open Access article distributed under the terms of the Creative Commons Attribution Licence (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. https://creativecommons.org/licenses/by/4.0/
Keywords: Rovibrational energy levels, Marvel, Methanem, ¹²C ¹H₄, Line list, ExoMol
URI: https://discovery-pp.ucl.ac.uk/id/eprint/10185974
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