McKemmish, LK;
Yurchenko, SN;
Tennyson, J;
(2016)
ExoMol line lists - XVIII. The high-temperature spectrum of VO.
Monthly Notices of the Royal Astronomical Society
, 463
(1)
pp. 771-793.
10.1093/mnras/stw1969.
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Abstract
An accurate line list, VOMYT, of spectroscopic transitions is presented for hot VO. The 13 lowest electronic states are considered. Curves and couplings are based on initial ab initio electronic structure calculations and then tuned using available experimental data. Dipole moment curves, used to obtain transition intensities, are computed using high levels of theory (e.g. MRCI/aug-cc-pVQZ using state-specific or minimal-state complete active space for dipole moments). This line list contains over 277 million transitions between almost 640 000 energy levels. It covers the wavelengths longer than 0.29 μm and includes all transitions from energy levels within the lowest nine electronic states which have energies less than 20 000 cm−1 to upper states within the lowest 13 electronic states which have energies below 50 000 cm−1. The line lists give significantly increased absorption at infrared wavelengths compared to currently available VO line lists. The full line lists is made available in electronic form via the CDS database and at www.exomol.com.
| Type: | Article |
|---|---|
| Title: | ExoMol line lists - XVIII. The high-temperature spectrum of VO |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1093/mnras/stw1969 |
| Publisher version: | http://doi.org/10.1093/mnras/stw1969 |
| Language: | English |
| Additional information: | This article has been accepted for publication in Monthly Notices of the Royal Astronomical Society ©: 2016 The Authors Published by Oxford University Press on behalf of the Royal Astronomical Society. All rights reserved. |
| Keywords: | Science & Technology, Physical Sciences, Astronomy & Astrophysics, molecular data, opacity, astronomical data bases: miscellaneous, planets and satellites: atmospheres, brown dwarfs, stars: low-mass, TRANSITION-METAL MONOXIDES, CONFIGURATION-INTERACTION CALCULATIONS, DENSITY-FUNCTIONAL THEORY, ELECTRONIC GROUND-STATE, HOT-JUPITER ATMOSPHERES, YOUNG BROWN DWARFS, DIATOMIC-MOLECULES, HD 209458B, VANADIUM-OXIDE, HYPERFINE-STRUCTURE |
| 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/1516122 |
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