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ExoMol line lists – XLVIII. High-temperature line list of thioformaldehyde (H2CS)

Mellor, Thomas; Owens, Alec; Tennyson, Jonathan; Yurchenko, Sergei N; (2023) ExoMol line lists – XLVIII. High-temperature line list of thioformaldehyde (H2CS). Monthly Notices of the Royal Astronomical Society , Article stad111. 10.1093/mnras/stad111. (In press). Green open access

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Abstract

A comprehensive rotation-vibration (ro-vibrational) line list of thioformaldehyde (1H212C32S) that is applicable for elevated temperatures (2000K) is presented. The new MOTY line list covers the 0 to 8000 cm−1 range (wavelengths λ > 1.3μm and contains around 43.5billion transitions between 52.3million states with rotational excitation up to J = 120. Line list calculations utilise a newly determined empirically refined potential energy surface (PES) – the most accurate H2CS PES to date – a previously published high-level ab initio dipole moment surface, and the use of an exact kinetic energy operator for solving the ro-vibrational Schrödinger equation. Post-processing of the MOTY line list is performed by replacing calculated energy levels with empirically-derived values, vastly improving the accuracy of predicted line positions in certain spectral windows and making the line list suitable for high-resolution applications. The MOTY line list is available from the ExoMol database at www.exomol.com and the CDS astronomical database.

Type: Article
Title: ExoMol line lists – XLVIII. High-temperature line list of thioformaldehyde (H2CS)
Open access status: An open access version is available from UCL Discovery
DOI: 10.1093/mnras/stad111
Publisher version: https://doi.org/10.1093/mnras/stad111
Language: English
Additional information: © The Author(s) 2023. Published by Oxford University Press on behalf of The Royal Astronomical Society. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
Keywords: molecular data, opacity, planets and satellites: atmospheres, stars: atmospheres, ISM: molecules
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
URI: https://discovery.ucl.ac.uk/id/eprint/10163686
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