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ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl

Barton, EJ; Chiu, C; Golpayegani, S; Yurchenko, SN; Tennyson, J; Frohman, DJ; Bernath, PF; (2014) ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl. Monthly Notices of the Royal Astronomical Society , 442 (2) 1821- 1829. 10.1093/mnras/stu944. Green open access

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Abstract

Accurate rotation-vibration line lists for two molecules, NaCl and KCl, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 3000 K). Isotopologues $^{23}$Na$^{35}$Cl, $^{23}$Na$^{37}$Cl, $^{39}$K$^{35}$Cl, $^{39}$K$^{37}$Cl, $^{41}$K$^{35}$Cl and $^{41}$K$^{37}$Cl are considered. Laboratory data was used to refine ab initio potential energy curves in order to compute accurate ro-vibrational energy levels. Einstein A coefficients are generated using newly determined ab initio dipole moment curves calculated using the CCSD(T) method. New Dunham Y$_{ij}$ constants for KCl are generated by a reanalysis of a published Fourier transform infrared emission spectra. Partition functions plus full line lists of ro-vibration transitions are made available in an electronic form as supplementary data to this article and at www.exomol.com.

Type: Article
Title: ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl
Open access status: An open access version is available from UCL Discovery
DOI: 10.1093/mnras/stu944
Publisher version: http://dx.doi.org/10.1093/mnras/stu944
Language: English
Additional information: © 2014 The Authors Published by Oxford University Press on behalf of the Royal Astronomical Society
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.ucl.ac.uk/id/eprint/1426017
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