HIGH-ORDER MULTIPLE-SCATTERING CALCULATIONS OF X-RAY-ABSORPTION FINE-STRUCTURE

被引：1246

作者：

REHR, JJ ^{[1
]}

ALBERS, RC ^{[1
]}

ZABINSKY, SI ^{[1
]}

机构：

[1] LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87544

来源：

PHYSICAL REVIEW LETTERS | 1992年 / 69卷 / 23期

关键词：

D O I：

10.1103/PhysRevLett.69.3397

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

High-order scattering is found to be essential for the convergence of the multiple-scattering (MS) theory of x-ray-absorption fine structure, both in the near-edge and the extended regimes. These contributions are calculated using an ab initio curved-wave scattering-matrix formalism. Convergence to full MS accuracy is demonstrated for fcc Cu, as well as for molecular O2 and N2, where our approach provides a high-order MS interpretation of the sigma* shape resonances.

引用

页码：3397 / 3400

页数：4

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