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Line shapes of isotropic and depolarized CILS spectra of neon: Interaction potential and pair polarizability
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2024-03-28 , DOI: 10.1016/j.jqsrt.2024.108990
J.-L. Godet , M.S.A. El-Kader , M.A. El-Naggar

The present work proposes three interaction potentials between two gaseous neon atoms and applies them to the study of models representing the anisotropy and trace of the induced pair polarizability tensor. The proposed empirical interatomic potentials for the gaseous Ne-Ne interaction are developed by fitting the Improved Lennard-Jones (ILJ), Modified Tang-Toennies (MTT) and Barker et al. (BFW) potentials simultaneously to the spectroscopic and transport properties over a wide temperature range. The validity of the proposed interatomic potentials is verified by comparing the calculated and experimental second pressure virial coefficient over a wide temperature range. In addition to this, the results show satisfactory accordance between the experimental and calculated vibrational energy levels using the deduced pair potential parameters compared to those reported for neon gas. These comparisons exhibit acceptable accuracy when the present work potential parameters are inserted to reproduce the transport and thermo-physical properties, besides the spectral moments and the spectral line-shape intensities for neon gas. The isotropic and depolarized collision-induced light scattering (CILS) spectra are produced and analyzed as functions of the potential considered. They exhibit sensitivity to both the attractive part of the potential and the short-range values of the polarizability anisotropy or mean at intermediate and high frequencies. Mean and anisotropy are deduced directly from spectral line shapes using a new inversion method.

中文翻译:

氖的各向同性和去极化 CILS 光谱的线形:相互作用势和对极化率

目前的工作提出了两个气态氖​​原子之间的三种相互作用势,并将其应用于代表诱导对极化张量的各向异性和迹的模型的研究。气态 Ne-Ne 相互作用的经验原子间势是通过拟合改进的 Lennard-Jones (ILJ)、改进的 Tang-Toennies (MTT) 和 Barker 等人得出的。 (BFW)电势同时影响宽温度范围内的光谱和传输特性。通过比较宽温度范围内计算的第二压力维里系数和实验的第二压力维里系数,验证了所提出的原子间势的有效性。除此之外,结果表明,与报道的氖气参数相比,使用推导的对势参数得出的实验和计算的振动能级之间具有令人满意的一致性。当插入当前的功势参数以再现除了氖气的谱矩和谱线形状强度之外的输运和热物理性质时,这些比较表现出可接受的精度。各向同性和去偏振碰撞诱导光散射 (CILS) 光谱作为所考虑的电势的函数来生成和分析。它们对中频和高频下势的吸引部分和极化率各向异性或平均值的短程值表现出敏感性。使用新的反演方法直接从谱线形状推导出平均值和各向异性。
更新日期:2024-03-28
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