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Line shape parameters for HF in a bath of argon as a test of classical path models

机译:HF在氩气浴中的线形参数作为经典路径模型的测试

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摘要

The classical pathe method by Neilsen and Gordon[J.Chem, Phys. 58,413(1973)] is tested by comparison with extensive fully quantal calculations and recent measurements of cross-sections for HF-Ar. Widths and shifts are found to be in satisfacctory atgreemaent both with the close-cou;ling and experimental results. Comparisons are slso made with more"downgraded" theoretical approaches based on the peaking approximnation and the neglect of the time ordering. Finally, the Neilsen and Gordon approach is used in orer to demonstrte that vibration-rotation coupling significaltly contributes to the rotational dependence of both widths and shifts cross-sections
机译:Neilsen和Gordon的经典路径方法[J.Chem,Phys。 58,413(1973)]是通过与大量的完全定量计算和最新的HF-Ar横截面测量值进行比较而进行测试的。发现宽度和位移与近距离和实验结果都令人满意。还基于峰值近似和对时间顺序的忽略,使用更多的“降级”理论方法进行比较。最后,Neilsen和Gordon方法被用来证明振动-旋转耦合显着地影响了宽度和横截面位移的旋转依赖性。

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