THE MAXIMUM-ENTROPY METHOD IN CHARGE-DENSITY STUDIES - ASPECTS OF RELIABILITY

被引:42
作者
JAUCH, W
PALMER, A
机构
来源
ACTA CRYSTALLOGRAPHICA SECTION A | 1993年 / 49卷
关键词
D O I
10.1107/S0108767392010948
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The maximum-entropy method (MEM) was applied to accurate gamma-ray diffraction data from MnF2 and NiF2 to explore details of the charge-density distribution. For a fair judgement of the results, Si Pendellosung data [Saka & Kato (1986). Acta Cryst. A42, 469-478] were also treated. It is shown that conclusions drawn from MEM maps must be accepted with some reserve, particularly in the regions of interest in charge-density studies.
引用
收藏
页码:590 / 591
页数:2
相关论文
共 10 条