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Exomol Molecular Line Lists XXX: a Complete High-accuracy Line List for Water

Polyansky, OL; Kyuberis, AA; Zobov, NF; Tennyson, J; Yurchenko, SN; Lodi, L; (2018) Exomol Molecular Line Lists XXX: a Complete High-accuracy Line List for Water. Monthly Notices of the Royal Astronomical Society , 480 (2) pp. 2597-2608. 10.1093/mnras/sty1877. Green open access

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Abstract

A new line list for H216O is presented. This line list, which is called POKAZATEL, includes transitions between rotational-vibrational energy levels up to 41 000 cm-1and is the most complete to date. The potential energy surface (PES) used for producing the line list was obtained by fitting a high-quality ab initio PES to experimental energy levels with energies of 41 000 cm-1and for rotational excitations up to J = 5. The final line list comprises all energy levels up to 41 000 cm-1and rotational angular momentum J up to 72. An accurate ab initio dipole moment surface was used for the calculation of line intensities and reproduces high-precision experimental intensity data with an accuracy close to 1 per cent. The final line list uses empirical energy levels, whenever they are available, to ensure that line positions are reproduced as accurately as possible. The POKAZATEL line list contains over 5 billion transitions and is available from the ExoMol website (www.exomol.com) and the CDS data base.

Type: Article
Title: Exomol Molecular Line Lists XXX: a Complete High-accuracy Line List for Water
Open access status: An open access version is available from UCL Discovery
DOI: 10.1093/mnras/sty1877
Publisher version: https://doi.org/10.1093/mnras/sty1877
Language: English
Additional information: 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; stars: low-mass, stars: brown dwarfs. astronomical data bases: miscellaneous
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/10059787
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