A NEW METHOD FOR PARAMETERIZATION OF PHASE-SHIFT AND BACKSCATTERING AMPLITUDE

被引：185

作者：

VAARKAMP, M

LINDERS, JC

KONINGSBERGER, DC

机构：

[1] XAFS SERV INT, 3502 MA UTRECHT, NETHERLANDS

[2] UNIV UTRECHT, DEBYE INST, DEPT INORGAN CHEM, 3508 TB UTRECHT, NETHERLANDS

来源：

PHYSICA B | 1995年 / 208卷 / 1-4期

关键词：

D O I：

10.1016/0921-4526(94)00658-I

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Parameterization of phase and backscattering amplitude with cubic splines is described. Using these cubic spline, the analytical partial derivatives of the plane wave EXAFS function can be calculated. The use of analytical partial derivatives decreases the CPU time needed for a refinement by over 60% for a three shell system compared to a refinement with partial derivatives calculated with the finite difference method.

引用

页码：159 / 160

页数：2

共 5 条

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