分子散射数据的反演

U. Buck
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引用次数: 0

摘要

综述了分子物理中散射逆问题的实用解法。本文提出了从s矩阵或其半经典类似物挠度函数中提取相互作用势的方法,以及将截面转化为这些函数的方法。弹性散射数据的精确量子力学方法和半经典或高能近似方法是可用的。讨论了对称交换过程、电子激励和旋转激励下非弹性截面的计算方法。最后给出了准备输入数据的计算过程,包括必要的反褶积过程以及s矩阵和势的构造。本文只讨论了应用于实际数据或至少有模拟实例的方法,并通过适当的实例加以说明。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Inversion of molecular scattering data

Practical solutions of the inverse problem of scattering in molecular physics are reviewed. Methods are presented both for extracting the interaction potential from the S-matrix or its semiclassical analogue the deflection function and for inverting the cross sections to these functions. Exact quantum mechanical methods and methods in the semiclassical or the high energy approximation are available for elastic scattering data. Procedures for inelastic cross sections are discussed for symmetric exchange processes, electronic and rotational excitation. Finally the computational procedures for the preparation of the input data including necessary deconvolution processes and for the construction of the S-matrix and the potential are presented. Only methods which were applied to real data or for which at least simulated examples are available are discussed and illustrated by suitable examples.

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