Abstract—

The study of the vibrational dependence of H₂O polarizability α is based on the comparison of experimental and calculated line shifts induced by argon, nitrogen, and air pressure in different H₂O vibrational bands. The dependence of α on the internal coordinate θ, which describes large-amplitude bending vibration in the molecule, is expressed by a power series. The coefficients of the power series were selected so as to ensure the best agreement between the calculated matrix elements 〈ψ_n|α(θ)|ψ_n〉 and the polarizability values α(n) derived from the analysis of experimental H₂O absorption line shifts in nν₂ vibrational bands by nitrogen, oxygen, air, and argon pressure. The rotational contributions in the effective H₂O polarizability are calculated and discussed. The α(θ) representation found is compared with ab initio calculations.

中文翻译：

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基于缓冲气体压力的振动线位移数据研究H 2 O极化率

摘要—

对H ₂ O极化率α的振动依赖性的研究是基于在不同H ₂ O振动带中由氩，氮和气压引起的实验和计算得出的线位移的比较。α对内坐标θ的依赖关系用幂级数表示，内坐标θ描述分子中的大振幅弯曲振动。选择时的幂级数的系数，以便确保所计算的矩阵元素<ψ之间的最佳协议_Ñ ψ| |α（θ）_ñ >和极化值α（ñ从实验H的分析得出）₂ -O吸收在线路移ñ ν ₂氮气，氧气，空气和氩气压力产生的振动带。计算并讨论了有效H ₂ O极化率中的旋转贡献。将找到的α（θ）表示与从头算计算中进行比较。