We present a method to incorporate Debye-Waller effects on core-excitation spectra within frameworks other than real-space, multiple-scattering formulations. The method draws ideas used in multiple-scattering theory to realize effects of variations in interatomic distances, and the method accomplishes this without benefit of the atom-by-atom nature in which multiple-scattering calculations are formulated. We test the method in four metals and one semiconductor over a range of temperatures and compare all theoretical results to experiment. The method is agnostic regarding the source of interatomic distance information, and it should be applicable to a wide range of systems, including systems without crystalline periodicity.

中文翻译：

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Bethe-Salpeter 计算中的 Debye-Waller 效应：弥合 XANES 和 EXAFS 之间的差距

我们提出了一种将德拜-沃勒效应纳入实空间多重散射公式之外的框架内的核心激发光谱的方法。该方法借鉴了多重散射理论中使用的思想来实现原子间距离变化的影响，并且该方法在没有利用多重散射计算所采用的逐原子性质的情况下实现这一点。我们在一定温度范围内用四种金属和一种半导体测试该方法，并将所有理论结果与实验进行比较。该方法对于原子间距离信息的来源是不可知的，并且它应该适用于广泛的系统，包括没有晶体周期性的系统。