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◆ Monthly Notices of the Royal Astronomical Society2025-12-02· Isotopologue

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

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

原始摘要(英文原文)· Original 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.
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ExoMol line lists – LXIII. ExoMol line lists for 12 isotopologues of CO2 — 科研速览 Science Skim