ExoMol项目中用于光吸收的数据结构

The ExoMol Atlas of Molecular Opacities

The ExoMol project is dedicated to providing molecular line lists for exoplanet and other hot atmospheres. The ExoMol procedure uses a mixture of ab initio calculations and available laboratory data. The actual line lists are generated using variational nuclear motion calculations. These line lists form the input for opacity models for cool stars and brown dwarfs as well as for radiative transport models involving exoplanets. This paper is a collection of molecular opacities for 52 molecules (130 isotopologues) at two reference temperatures, 300 K and 2000 K, using line lists from the ExoMol d…

ExoMol：系外行星和其他大气的分子谱线列表

ExoMol: molecular line lists for exoplanet and other atmospheres

太阳系外行星的发现是近二十年来科学上的重大进展之一。现在已经发现了数百颗行星，天文学家开始研究它们的组成和物理特征。要做到这一点，需要大量的光谱数据，其中大部分是无法从实验室研究。ExoMol项目将通过提供系外行星大气中所有重要分子跃迁的光谱数据，为这一问题提供全面的解决方案。这些数据将广泛应用于其他问题，并将用于研究冷星、褐矮星和星周环境。本文阐述了该项目的科学基础，并回顾了这一领域以前的工作。第一性原理和精确调谐的量子力学方法的混合物将用于计算全面和非常大的旋转振动和旋转振动电子（旋转振动）线列表。将开发处理甲烷和硝酸等较大分子的方法。ExoMol将依靠这些发展和最先进的计算技术。

ExoMol：H $_3^+$的全面产品线列表

ExoMol molecular line lists XX: a comprehensive line list for H$_3^+$

H $_3^+$是一种普遍存在的重要天体物质，其光谱在星际介质、行星和超新星SN 1897 a的遗迹中都有观测到。它作为冷却器的作用对于气体巨行星和系外行星，甚至可能是早期宇宙都很重要。这使得H $_3^+$的光谱性质、冷却函数和配分函数成为天文模型和分析的关键参数。作为ExoMol项目的一部分，计算了一个新的高精度，非常广泛的H $_3^+$的线列表，称为MiZATeP，以及温度依赖性冷却函数和配分函数以及%单个激发态的寿命。这些数据以电子形式提供，作为本文的补充数据，网址为http://www.exomol.com

PyExoCross：一个用于从分子谱线列表生成光谱和截面的Python程序

PyExoCross: a Python program for generating spectra and cross-sections from molecular line lists

PyExoCross是一个Python程序，用于后处理ExoMol、HITRAN和HITEMP等分子谱线列表，支持多种线型计算光谱与截面、格式转换及批量下载。

The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres

The ExoMol database (www.exomol.com) provides molecular data for spectroscopic studies of hot atmospheres. While the data is intended for studies of exoplanets and other astronomical bodies, the dataset is widely applicable. The basic form of the database is extensive line lists; these are supplemented with partition functions, state lifetimes, cooling functions, Landé g-factors, temperature-dependent cross sections, opacities, pressure broadening parameters, $k$-coefficients and dipoles. This paper presents the latest release of the database which has been expanded to consider 80 molecules an…

ExoMol molecular line lists -- XXXVII: spectra of acetylene

A new ro-vibrational line list for the ground electronic state of the main isotopologue of acetylene, $^{12}$C$_2$H$_2$, is computed as part of the ExoMol project. The aCeTY line list covers the transition wavenumbers up to 10,000 cm$^{-1}$ ($ λ>1$ $μ$m), with lower and upper energy levels up to 12,000 cm$^{-1}$ and 22,000 cm$^{-1}$ considered, respectively. The calculations are performed up to a maximum value for the vibrational angular momentum, $K_{\rm max}=L_{\rm max}$ = 16, and maximum rotational angular momentum, $J$ = 99. Higher values of $J$ were not within the specified wavenumber win…