"Ab-initio" modelling of x-ray absorption spectra

A. Filipponi; A. Di Cicco; T. A. Tyson; C. R. Natoli

doi:10.1016/0038-1098(91)90194-Z

"Ab-initio" modelling of x-ray absorption spectra

A. Filipponi, A. Di Cicco, T. A. Tyson, C. R. Natoli

Research output: Contribution to journal › Article › peer-review

131 Scopus citations

Abstract

A new method for analyzing 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.

Original language	English (US)
Pages (from-to)	265-268
Number of pages	4
Journal	Solid State Communications
Volume	78
Issue number	4
DOIs	https://doi.org/10.1016/0038-1098(91)90194-Z
State	Published - Apr 1991
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Chemistry
Condensed Matter Physics
Materials Chemistry

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10.1016/0038-1098(91)90194-Z

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abstract = "A new method for analyzing 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.",

author = "A. Filipponi and {Di Cicco}, A. and Tyson, {T. A.} and Natoli, {C. R.}",

year = "1991",

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AU - Filipponi, A.

AU - Di Cicco, A.

AU - Tyson, T. A.

AU - Natoli, C. R.

PY - 1991/4

Y1 - 1991/4

N2 - A new method for analyzing 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.

AB - A new method for analyzing 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.

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EP - 268

JO - Solid State Communications

JF - Solid State Communications

IS - 4

ER -

"Ab-initio" modelling of x-ray absorption spectra

Abstract

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