ExoMol line lists – LXIII. ExoMol line lists for 12 isotopologues of CO2

ABSTRACT Extensive rovibrational line lists are constructed for 12 isotopologues of carbon dioxide: $^{12}$C$^{16}$O$_2$, $^{13}$C$^{16}$O$_2$, $^{12}$C$^{17}$O$_2$, $^{13}$C$^{17}$O$_2$, $^{12}$C$^{18}$O$_2$, $^{13}$C$^{18}$O$_2$, $^{16}$O$^{12}$C$^{17}$O, $^{16}$O$^{12}$C$^{18}$O, $^{16}$O$^{13}$C$^{17}$O, $^{16}$O$^{13}$C$^{18}$O, $^{17}$O$^{12}$C$^{18}$O, and $^{17}$O$^{13}$C$^{18}$O. The variational program trove was employed together with an exact kinetic energy operator, accurate empirical potential energy surface (Ames-2) and the ab initio dipole moment surface Ames-2021-40K. Empirical energy levels from the most recent MARVEL analyses, as well as from the HITRAN and CDSD data bases, are used to replace calculated values where available. The line lists are further supplemented by assigning AFGL quantum numbers using machine-learning based estimators. The resulting data were employed to generate opacities with four radiative transfer codes, TauREx, ARCiS, NEMESIS, and petitRADTRANS, both for individual isotopologues and for CO$_2$ at terrestrial isotopic natural abundance. All line lists and associated data are available at www.exomol.com.

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Publication Details

Journal
Monthly Notices of the Royal Astronomical Society
Published
2025-12-02
DOI
https://doi.org/10.1093/mnras/staf2135
Citations
2
Primary Topic
Spectroscopy and Laser Applications
Type
article
Field-Weighted Citation Impact
1.51
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article

ExoMol line lists – LXIII. ExoMol line lists for 12 isotopologues of CO2

Qijian Ni, Sergei N. Yurchenko, Armando N. Perri, Charles A Bowesman et al.
2 citations
Monthly Notices of the Royal Astronomical Society
Spectroscopy and Laser Applications
1.51
article

ExoMol line lists – LXIII. ExoMol line lists for 12 isotopologues of CO2

Qijian Ni, Sergei N. Yurchenko, Armando N. Perri, Charles A Bowesman, Ryan P. Brady, Jonathan Tennyson, C. Tao, Kyriaki Kefala, Elizabeth R. Guest, Oleksiy Smola, Andrei Solokov, Marco Barnfield
article en
2 citations

Abstract

ABSTRACT Extensive rovibrational line lists are constructed for 12 isotopologues of carbon dioxide: $^{12}$C$^{16}$O$_2$, $^{13}$C$^{16}$O$_2$, $^{12}$C$^{17}$O$_2$, $^{13}$C$^{17}$O$_2$, $^{12}$C$^{18}$O$_2$, $^{13}$C$^{18}$O$_2$, $^{16}$O$^{12}$C$^{17}$O, $^{16}$O$^{12}$C$^{18}$O, $^{16}$O$^{13}$C$^{17}$O, $^{16}$O$^{13}$C$^{18}$O, $^{17}$O$^{12}$C$^{18}$O, and $^{17}$O$^{13}$C$^{18}$O. The variational program trove was employed together with an exact kinetic energy operator, accurate empirical potential energy surface (Ames-2) and the ab initio dipole moment surface Ames-2021-40K. Empirical energy levels from the most recent MARVEL analyses, as well as from the HITRAN and CDSD data bases, are used to replace calculated values where available. The line lists are further supplemented by assigning AFGL quantum numbers using machine-learning based estimators. The resulting data were employed to generate opacities with four radiative transfer codes, TauREx, ARCiS, NEMESIS, and petitRADTRANS, both for individual isotopologues and for CO$_2$ at terrestrial isotopic natural abundance. All line lists and associated data are available at www.exomol.com.

Monthly Notices of the Royal Astronomical SocietyVol. 545(3)
University College London (GB)
Openalex Percentile: Top 15%
Spectroscopy and Laser Applications
1.51
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