Gelisio Luca, Scardi Paolo
University of Trento, Italy.
Acta Crystallogr A Found Adv. 2016 Nov 1;72(Pt 6):608-620. doi: 10.1107/S2053273316014881. Epub 2016 Oct 31.
Debye's scattering equation (DSE) has spanned a century of scientific development, from the dawn of quantum mechanics and the investigation of the structure of atoms and molecules to the era of nanotechnology, paving the way to total scattering methods. The formulation offers the most accurate representation of the intensity scattered by randomly oriented atomic aggregates, constructed by superimposing the signal from each atomic distance in the molecule. The present paper reviews some of the milestone applications, from the interpretation of the intensity curves from gases and vapours, to aggregates of increasing size and more extended order. Important developments, aimed at mitigating the prohibitive computational complexity of the DSE, and state-of-the-art methods for the characterization of static and dynamic displacements are also discussed.
德拜散射方程（DSE）跨越了一个世纪的科学发展历程，从量子力学的萌芽以及对原子和分子结构的研究，到纳米技术时代，为全散射方法铺平了道路。该公式提供了由随机取向的原子聚集体散射强度的最精确表示，它通过叠加分子中每个原子间距的信号构建而成。本文回顾了一些具有里程碑意义的应用，从对气体和蒸汽强度曲线的解释，到尺寸不断增大且有序程度更高的聚集体。还讨论了旨在减轻DSE过高计算复杂度的重要进展，以及用于表征静态和动态位移的最新方法。
