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

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1991年 / 3卷 / 33期

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

页码：6489 / 6507

页数：19

共 28 条

[1] MULTIPLE-SCATTERING REGIME AND HIGHER-ORDER CORRELATIONS IN X-RAY-ABSORPTION SPECTRA OF LIQUID SOLUTIONS [J].

BENFATTO, M ;

NATOLI, CR ;

BIANCONI, A ;

GARCIA, J ;

MARCELLI, A ;

FANFONI, M ;

DAVOLI, I .

PHYSICAL REVIEW B, 1986, 34 (08) :5774-5781

[2] MULTIPLE-SCATTERING EFFECTS IN THE K-EDGE X-RAY-ABSORPTION NEAR-EDGE STRUCTURE OF CRYSTALLINE AND AMORPHOUS-SILICON [J].

BIANCONI, A ;

DICICCO, A ;

PAVEL, NV ;

BENFATTO, M ;

MARCELLI, A ;

NATOLI, CR ;

PIANETTA, P ;

WOICIK, J .

PHYSICAL REVIEW B, 1987, 36 (12) :6426-6433

[3] ABINITIO CALCULATION OF EXTENDED X-RAY-ABSORPTION FINE-STRUCTURE IN BR-2 [J].

CHOU, SH ;

REHR, JJ ;

STERN, EA ;

DAVIDSON, ER .

PHYSICAL REVIEW B, 1987, 35 (06) :2604-2614

[4]

DAN L, 1988, PHYS REV B, V37, P6126

[5]

DELRIO MS, 1990, C P, V25, P35

[6] XANES - DETERMINATION OF BOND ANGLES AND MULTI-ATOM CORRELATIONS IN ORDER AND DISORDERED-SYSTEMS [J].

DURHAM, PJ ;

PENDRY, JB ;

HODGES, CH .

SOLID STATE COMMUNICATIONS, 1981, 38 (02) :159-162

[7] CALCULATION OF X-RAY ABSORPTION NEAR-EDGE STRUCTURE, XANES [J].

DURHAM, PJ ;

PENDRY, JB ;

HODGES, CH .

COMPUTER PHYSICS COMMUNICATIONS, 1982, 25 (02) :193-205

[8]

Evans M.W., 1985, ADV CHEM PHYS, V62, DOI [10.1002/9780470142868, DOI 10.1002/9780470142868]

[9]

EVANS MW, 1985, ADV CHEM PHYS, V62, P145

[10] ABINITIO MODELING OF X-RAY ABSORPTION-SPECTRA [J].

FILIPPONI, A ;

DICICCO, A ;

TYSON, TA ;

NATOLI, CR .

SOLID STATE COMMUNICATIONS, 1991, 78 (04) :265-268

← 1 2 3 →