Supplementary material for PB-, PS- and Dicke cofficients,

Description of the supplementary materials for Ab initio line-shape calculations for the S and O branches of H2 perturbed by He by H. Jóźwiak, F. Thibault, N. Stolarczyk, P. Wcisło 1. Cross sections (in Å2), defined by Eq. 2, as a function of the kinetic energy (in cm-1) are given in the *.dat files. The data is organised in five colums, corresponding to (in order): the kinetic energy, the real part of σ0q, the imaginary part of σ0q, the real part of σ1q and the imaginary part of σ1q. For instance the file S2ani01.dat provides the cross sections for the anisotropic Raman S(2) line of the 0-1 band, and the file O4ani03.dat provides the cross sections the anisotropic Raman O(4) line of the 0-3 band. 2. The thermally averaged pressure broadening and shifting coefficients (PBC and PSC), real and imaginary parts of the optical frequencies of velocity-changing collisions (Re(νopt) and Im(νopt)), defined by Eq. 4-7, are provided by the *.txt files. The values of the coefficients are given in 10-3 cm-1/atm. The data is organised in five columns, corresponding to (in order): temperature (in K), PBC, PSC, Re(νopt) and Im(νopt). For instance the file S5ani02.txt provides the coefficients for anisotropic S(5) line of the 0-2 band, while O2ani05.txt provides the coefficients for anisotropic O(2) line of the 0-5 band.本数据集为H. Jóźwiak、F. Thibault、N. Stolarczyk与P. Wcisło所著《氦气（He）扰动下氢分子（H₂）S分支与O分支的从头算（ab initio）线型计算》的补充材料。 1. 按式(2)定义的碰撞截面（单位：Ų）随动能（单位：cm⁻¹）的变化关系存储于*.dat格式文件中。数据共分为五列，依次对应：动能、σ₀^q的实部、σ₀^q的虚部、σ₁^q的实部、σ₁^q的虚部。例如，文件S2ani01.dat对应0-1跃迁带的各向异性拉曼S(2)谱线的碰撞截面；文件O4ani03.dat对应0-3跃迁带的各向异性拉曼O(4)谱线的碰撞截面。 2. 按式(4)~(7)定义的热平均压力展宽系数（PBC）与压力频移系数（PSC）、速度改变碰撞的光学频率实部Re(ν_opt)和虚部Im(ν_opt)，存储于*.txt格式文件中。上述系数的单位为10⁻³ cm⁻¹/atm，数据共分为五列，依次对应：温度（单位：K）、PBC、PSC、Re(ν_opt)、Im(ν_opt)。例如，文件S5ani02.txt对应0-2跃迁带的各向异性S(5)谱线的相关系数；文件O2ani05.txt对应0-5跃迁带的各向异性O(2)谱线的相关系数。