DOES THE ATOMIC-STRUCTURE FACTOR SHOW ATOMIC-STRUCTURE

被引:20
|
作者
SCHMIDER, H
SAGAR, RP
SMITH, VH
机构
[1] Department of Chemistry, Queen's University, Kingston
来源
JOURNAL OF CHEMICAL PHYSICS | 1991年 / 94卷 / 06期
关键词
D O I
10.1063/1.460621
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Numerical evidence for the monotonicity of the isotropic atomic form factor, F(k), is presented. It is shown that the structural features of F(k) can be considerably enhanced by taking its Laplacian, inverted-open-triangle 2 F(k). Roots and extrema of this function can be assigned to different atomic shells. Linear relationships between the position of the roots and extrema and the atomic number Z are found for the neutral atoms with Z less-than-or-equal-to 92.
引用
收藏
页码:4346 / 4351
页数:6
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