大结构振幅的概率:空间群

A. Wilson
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引用次数: 0

摘要

直到最近,构造振幅的概率分布表达式只适用于从零到平均振幅的两倍或三倍的范围。综述了近年来在获得更大结构振幅(直至接近单位的结构因子)的有效结果方面的进展;所采用的方法包括傅立叶级数表示、最陡下降近似和计算机模拟。除了最后一个,这些结果只对空间群{ie335-02}有效,尽管那些属于点群2/m的空间群和可能的其他一些低对称性的中心对称群的结果预计会有类似的行为。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The probability of large structure amplitudes: The space groupP1
Until recently, expressions derived for the probability distribution of the magnitudes of structure amplitudes have been valid only for the range from zero up to two or three times the average magnitude. Recent progress in obtaining results valid for larger structure amplitudes (up to unitary structure factors approaching unity) is reviewed; the methods employed include Fourier-series representations, steepest-descents approximations, and computer simulations. Except for the last, the results are valid only for the space group {ie335-02}, though those for the space groups belonging to the point group 2/m and possibly some other centro-symmetric groups of low symmetry are expected to behave similarly.
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