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
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
相关论文
共 31 条
[1]  
Abramowitz M., 1970, HDB MATH FUNCTIONS
[2]  
Arfken G., 1985, MATH METHODS PHYS, V3rd, P957
[3]  
Bader R.F.W., 1994, ATOMS MOL QUANTUM TH
[4]   A SIMPLE MEASURE OF ELECTRON LOCALIZATION IN ATOMIC AND MOLECULAR-SYSTEMS [J].
BECKE, AD ;
EDGECOMBE, KE .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (09) :5397-5403
[5]   SHELL STRUCTURE OF ATOMS [J].
BOYD, RJ .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1976, 9 (05) :L69-L72
[6]  
Bus J. C. P., 1975, ACM Transactions on Mathematical Software, V1, P330, DOI 10.1145/355656.355659
[7]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[8]  
COPPENS P, 1982, ELECTRON DISTRIBUTIO, P61
[9]   ON THE MONOTONICITY OF THE ATOMIC ELECTRON MOMENTUM DENSITY AND SHELL STRUCTURE OF THE RADIAL MOMENTUM DENSITY [J].
GADRE, SR ;
CHAKRAVORTY, S ;
PATHAK, RK .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07) :4581-4584
[10]   ASYMPTOTIC PROPERTIES OF ATOMIC FORM FACTORS AND INCOHERENT SCATTERING FUNCTIONS [J].
GOSCINSKI, O ;
LINDNER, P .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) :2539-+