CONTINUED-FRACTION EXPANSION FOR THE X-RAY ABSORPTION CROSS-SECTION

被引:39
作者
FILIPPONI, A
机构
[1] Dipartimento di Fisica, Aquila Univ., l'Aquila
关键词
D O I
10.1088/0953-8984/3/33/024
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The Haydock recursion scheme is for the first time applied to the matrix inversion required for calculations of x-ray absorption cross sections. A mapping of the multiple-scattering contributions into continued fraction coefficients which appears to improve the convergence of the multiple-scattering series is derived. Numerical applications to three different systems-Mn ion in water solution, a copper-imidazole molecule, and c-Si-are presented.
引用
收藏
页码:6489 / 6507
页数:19
相关论文
共 28 条
[21]   THEORY OF EXTENDED X-RAY ABSORPTION FINE-STRUCTURE [J].
LEE, PA ;
PENDRY, JB .
PHYSICAL REVIEW B, 1975, 11 (08) :2795-2811
[22]   EXTENDED X-RAY ABSORPTION FINE-STRUCTURE - ITS STRENGTHS AND LIMITATIONS AS A STRUCTURAL TOOL [J].
LEE, PA ;
CITRIN, PH ;
EISENBERGER, P ;
KINCAID, BM .
REVIEWS OF MODERN PHYSICS, 1981, 53 (04) :769-806
[23]   MULTICHANNEL MULTIPLE-SCATTERING THEORY WITH GENERAL POTENTIALS [J].
NATOLI, CR ;
BENFATTO, M ;
BROUDER, C ;
LOPEZ, MFR ;
FOULIS, DL .
PHYSICAL REVIEW B, 1990, 42 (04) :1944-1968
[24]  
SAINCTAVIT P, 1990, C P, V25, P31
[25]   DERIVATION OF SINGLE-SCATTERING FORMULAS FOR X-RAY-ABSORPTION AND HIGH-ENERGY ELECTRON-LOSS SPECTROSCOPIES [J].
SCHAICH, WL .
PHYSICAL REVIEW B, 1984, 29 (12) :6513-6519
[26]   X-RAY ABSORPTION-SPECTROSCOPY OF METAL HISTIDINE COORDINATION IN METALLOPROTEINS - EXACT SIMULATION OF THE EXAFS OF TETRAKIS(IMIDAZOLE)COPPER(II) NITRATE AND OTHER COPPER IMIDAZOLE COMPLEXES BY THE USE OF A MULTIPLE-SCATTERING TREATMENT [J].
STRANGE, RW ;
BLACKBURN, NJ ;
KNOWLES, PF ;
HASNAIN, SS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (23) :7157-7162
[27]   AN UPDATE OF DLXANES, THE CALCULATION OF X-RAY ABSORPTION NEAR-EDGE STRUCTURE [J].
VVEDENSKY, DD ;
SALDIN, DK ;
PENDRY, JB .
COMPUTER PHYSICS COMMUNICATIONS, 1986, 40 (2-3) :421-440
[28]  
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