ExoMol line lists -- LXIII: ExoMol line lists for 12 isotopologues of CO$_2$
Authors
Sergei N. Yurchenko
Marco G. Barnfield
Charles A. Bowesman
Ryan P. Brady
Elizabeth R. Guest
Kyriaki Kefala
Qing-He Ni
Armando N. Perri
Oleksiy A. Smola
Andrei Solokov
Chenyi Tao
Jonathan Tennyson
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 databases, 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.
