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A variationally computed line list for hot NH3

Yurchenko, SN; Barber, RJ; Tennyson, J; (2011) A variationally computed line list for hot NH3. Monthly Notices of the Royal Astronomical Society , 413 (3) 1828 - 1834. 10.1111/j.1365-2966.2011.18261.x. Green open access

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Abstract

We present 'BYTe', a comprehensive 'hot' line list for the ro-vibrational transitions of ammonia, 14NH(3), in its ground electronic state. This line list has been computed variationally using the program suite trove, a new spectroscopically determined potential energy surface and an ab initio dipole moment surface. BYTe, is designed to be used at all temperatures up to 1500 K. It comprises 1138 323 351 transitions in the frequency range from 0 to 12 000 cm-1, constructed from 1373 897 energy levels below 18 000 cm-1 having J values < 36. Comparisons with laboratory data confirm the accuracy of the line list which is suitable for modelling a variety of astrophysical problems including the atmospheres of extrasolar planets and brown dwarfs.

Type: Article
Title: A variationally computed line list for hot NH3
Open access status: An open access version is available from UCL Discovery
DOI: 10.1111/j.1365-2966.2011.18261.x
Language: English
Additional information: © 2011 The Authors Monthly Notices of the Royal Astronomical Society © 2011 RAS
Keywords: Molecular data, Subdwarfs, Infrared, Planetary systems, Extrasolar giant planets, Electronic ground-state, C/2004 Q2 Machholz, Theoretical spectra, Dipole-moment, Brown dwarfs, Ab-initio, Water, Ammonia, Temperature
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/397452
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