McKemmish, LK;
Masseron, T;
Jens Hoeijmakers, H;
Perez-Mesa, V;
Grimm, SL;
Yurchenko, SN;
Tennyson, J;
(2019)
ExoMol molecular line lists - XXXIII. The spectrum of Titanium Oxide.
Monthly Notices of the Royal Astronomical Society
, 488
(2)
pp. 2836-2854.
10.1093/mnras/stz1818.
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Abstract
ccurate line lists are crucial for correctly modelling a variety of astrophysical phenomena, including stellar photospheres and the atmospheres of extrasolar planets. This paper presents a new line database TOTO for the main isotopologues of titanium oxide (TiO): 46Ti16O, 47Ti16O, 48Ti16O, 49Ti16O, and 50Ti16O. The 48Ti16O line list contains transitions with wave-numbers up to 30 000 cm−1, i.e. longwards of 0.33 μm. The TOTO line list includes all dipole-allowed transitions between 13 low-lying electronic states (X 3Δ, a1Δ, d 1Σ+, E 3Π, A 3Φ, B3Π, C 3Δ, b 1Π, c1Φ, f1Δ, e 1Σ+). Ab initio potential energy curves (PECs) are computed at the icMRCI level and combined with spin–orbit and other coupling curves. These PECs and couplings are iteratively refined to match known empirical energy levels. Accurate line intensities are generated using ab initio dipole moment curves. The TOTO line lists are appropriate for temperatures below 5000 K and contain 30 million transitions for 48Ti16O; it is made available in electronic form via the CDS data centre and via www.exomol.com. Tests of the line lists show greatly improved agreement with observed spectra for objects such as M-dwarfs GJ876 and GL581.
| Type: | Article |
|---|---|
| Title: | ExoMol molecular line lists - XXXIII. The spectrum of Titanium Oxide |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1093/mnras/stz1818 |
| Publisher version: | http://doi.org/10.1093/mnras/stz1818 |
| Language: | English |
| Additional information: | Copyright © 2019 The Author(s) 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 (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, astronomical data bases: miscellaneous, planets and satellites: atmospheres, brown dwarfs, stars: low-mass |
| 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/10079502 |
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