论文标题
EXOMOL线列表-XXXIX。 CO $ _2 $的RO振动分子线列表
ExoMol line lists -- XXXIX. Ro-vibrational molecular line list for CO$_2$
论文作者
论文摘要
提出了CO $ _2 $的主要同位素的新热线列表。该行列表包括在其地面电子状态下的350万个旋转振动状态之间的近25亿个过渡状态，涵盖了波数范围0-20000 cm $ $^{ - 1} $（$λ> 0.5 $ $ $ $ $ $ M），上层和下部能量theSholds和下3600 cm $ $^$^$^$^$^1000; 分别。使用AMES-2精确的经验势能表面对RO振动能和波函数进行变异计算。使用各种程序Trove使用精确的Ab Intible偶极矩表面计算以爱因斯坦系数形式的RO振动过渡概率。采用了使用精确的核动力动能运算符的TROVE的新实施。提出了与现有热线列表的比较。该线列表应适用于大气检索系外行星和凉爽的恒星。 UCL-4000行列表可从CD和EXOMOL数据库中获得。
A new hot line list for the main isotopologue of CO$_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$^{-1}$ ($λ>0.5$ $μ$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.
