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

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arxiv 1403.7952 v1 pith:E5UWC4WD submitted 2014-03-31 astro-ph.SR

classification astro-ph.SR
keywords linelistsaccuratecurvesdataelectronicenergyexomol
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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.

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Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. Pyrat Bay 2.0: an Upgraded Framework for Exoplanet Atmosphere Modeling in the JWST Era

    astro-ph.EP 2026-08 conditional novelty 6.0 of 10

    Pyrat Bay 2.0 adds equilibrium chemistry, radiative equilibrium, and vertically varying abundance retrieval, and simulations indicate JWST-quality spectra can recover such variations.

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