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ExoMol line lists – XXXIX. Ro-vibrational molecular line list for CO2
Monthly Notices of the Royal Astronomical Society ( IF 4.8 ) Pub Date : 2020-06-30 , DOI: 10.1093/mnras/staa1874
S N Yurchenko 1 , Thomas M Mellor 1 , Richard S Freedman 2, 3 , J Tennyson 1
Affiliation  

A new hot line list for the main isotopologue of CO$_2$ is presented. The line list consists of almost 2.5 billion transitions between 3.5 million rotation-vibration states of CO$_2$ in its ground electronic state, covering the wavenumber range 0-20000 cm$^{-1}$ ($\lambda >0.5$ $\mu$m) with the upper and lower energy thresholds of 36 000 cm$^{-1}$ and 16 000 cm$^{-1}$, respectively. The ro-vibrational energies and wavefunctions are computed variationally using the Ames-2 accurate empirical potential energy surface. The ro-vibrational transition probabilities in the form of Einstein coefficients are computed using an accurate ab initio dipole moment surface using variational program TROVE. A new implementation of TROVE which uses an exact nuclear-motion kinetic energy operator is employed. Comparisons with the existing hot line lists are presented. The line list should be useful for atmospheric retrievals of exoplanets and cool stars. The UCL-4000 line list is available from the CDS and ExoMol databases.

中文翻译:

ExoMol 线列表 – XXXIX。CO2 的旋转振动分子线表

提供了 CO$_2$ 主要同位素体的新热线列表。线表由 350 万个 CO$_2$ 基电子态的旋转振动状态之间的近 25 亿个跃迁组成,涵盖波数范围 0-20000 cm$^{-1}$ ($\lambda >0.5$ $ \mu$m) 的能量上限和下限分别为 36 000 cm$^{-1}$ 和 16 000 cm$^{-1}$。使用 Ames-2 精确的经验势能面以变分方式计算旋转振动能量和波函数。使用变分程序 TROVE 使用精确的 ab initio 偶极矩表面计算爱因斯坦系数形式的旋转振动跃迁概率。采用了使用精确核运动动能算子的 TROVE 的新实现。提供了与现有热线列表的比较。该行列表对于系外行星和冷恒星的大气检索应该很有用。UCL-4000 线列表可从 CDS 和 ExoMol 数据库获得。
更新日期:2020-06-30
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