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
, 520
(2)
pp. 1997-2008.
10.1093/mnras/stad111.
Preview |
Text
stad111.pdf Download (1MB) | Preview |
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: | Copyright © 2023 The Author(s). This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://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-pp.ucl.ac.uk/id/eprint/10163686 |
Archive Staff Only
 |
View Item |
