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ABINITIO MODELING OF X-RAY ABSORPTION-SPECTRA

被引：128
作者：
FILIPPONI, A
DICICCO, A
TYSON, TA
NATOLI, CR
机构：
[1] UNIV CAMERINO,DIPARTIMENTO MATEMAT & FIS,I-62032 CAMERINO,ITALY
[2] STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
[3] IST NAZL FIS NUCL,LAB NAZL FRASCATI,I-00044 FRASCATI,ITALY
来源：
SOLID STATE COMMUNICATIONS | 1991年 / 78卷 / 04期
关键词：
D O I：
10.1016/0038-1098(91)90194-Z
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
A new method for analysing X-ray absorption spectra using multiple-scattering theory is presented. The basic principles and some applications are briefly discussed focusing the presentation on the general relevance of this approach. The GNXAS set of programs, especially designed to perform structural analysis on absorption data of any system, is described showing the practical applicability of the theory. The applications presented show that reliable and unique structural information on pair and higher-order distribution functions can be obtained by using this method which takes proper account of the multiple-scattering contributions.
引用
收藏
页码：265 / 268
页数：4
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