Critical analysis of non-nuclear electron-density maxima and the maximum entropy method

被引：66
|
作者：
deVries, RY
Briels, WJ
Feil, D
机构：
[1] Chemical Physics Laboratory, University of Twente, Enschede, 7500 AE
来源：
PHYSICAL REVIEW LETTERS | 1996年 / 77卷 / 09期
关键词：
D O I：
10.1103/PhysRevLett.77.1719
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Experimental evidence for the existence of non-nuclear maxima in charge densities is questioned. It is shown that the non-nuclear maxima reported for silicon are artifacts of the maximum entropy method that was used to analyze the x-ray diffraction data. This method can be improved by the use of appropriate prior information. We report systematic tests of the improved method leading to the absence of non-nuclear maxima in Si. Likewise, the non-nuclear maxima reported earlier in beryllium are not substantiated.
引用
收藏
页码：1719 / 1722
页数：4
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