Owens, Alec;
Mitrushchenkov, Alexander;
Yurchenko, Sergei N;
Tennyson, Jonathan;
(2022)
ExoMol line lists – XLVII. Rovibronic molecular line list of the calcium monohydroxide radical (CaOH).
Monthly Notices of the Royal Astronomical Society
, 516
(3)
pp. 3995-4002.
10.1093/mnras/stac2462.
Preview |
Text
stac2462.pdf Download (4MB) | Preview |
Abstract
Any future detection of the calcium monohydroxide radical (CaOH) in stellar and exoplanetary atmospheres will rely on accurate molecular opacity data. Here, we present the first comprehensive molecular line list of CaOH covering the A~2Π–X~2Σ+ rotation-vibration-electronic and X~2Σ+–X~2Σ+ rotation-vibration bands. The newly computed OYT6 line list contains over 24.2 billion transitions between 3.2 million energy levels with rotational excitation up to J = 175.5. It is applicable to temperatures up to T = 3000 K and covers the 0–35 000 cm−1 range (wavelengths λ > 0.29 μm) for rotational, rotation-vibration and the A~2Π–X~2Σ+ electronic transition. The strong band around 16 000 cm−1 (λ = 0.63 μm) is likely to be of interest in future astronomical observations, particularly in hot rocky exoplanets where temperatures can become extremely high. The OYT6 line list has been generated using empirically-refined X~2Σ+ and A~2Π state potential energy surfaces, high-level ab initio transition dipole moment surfaces and a rigorous treatment of both Renner-Teller and spin-orbit coupling effects, which are necessary for correctly modelling the CaOH spectrum. Post-processing of the CaOH line list has been performed so as to tailor it to high-resolution applications, i.e. by replacing calculated energy levels with more accurate empirically-derived values (where available), hence improving the accuracy of the predicted line positions in certain regions. The OYT6 line list is available from the ExoMol database at http://www.exomol.com and the CDS astronomical database.
| Type: | Article |
|---|---|
| Title: | ExoMol line lists – XLVII. Rovibronic molecular line list of the calcium monohydroxide radical (CaOH) |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1093/mnras/stac2462 |
| Publisher version: | https://doi.org/10.1093/mnras/stac2462 |
| Language: | English |
| Additional information: | © The Author(s) 2022. 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 > 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 UCL > Provost and Vice Provost Offices > UCL BEAMS UCL |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10155249 |
Archive Staff Only
 |
View Item |
