Analysis of multiple-scattering XAFS data using theoretical standards

M. Newville; B. Ravel; D. Haskel; J. J. Rehr; E. A. Stern; Y. Yacoby

doi:10.1016/0921-4526(94)00655-f

Analysis of multiple-scattering XAFS data using theoretical standards

M. Newville, B. Ravel, D. Haskel, J. J. Rehr, E. A. Stern, Y. Yacoby

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

756 Scopus citations

Abstract

Theoretical standards for scattering amplitudes and phase shifts are often necessary for XAFS analysis, as for cases in which multiple scattering paths are important over the R-range of interest. Even when not necessary, they are often more convenient and reliable than experimental standards. We discuss several important considerations that must be taken into account to successfully compare ab initio theoretical calculations from FEFF to experimental XAFS spectra, and present a computer program, FEFFIT, to assist in using FEFF to get reliable information from experimental XAFS data.

Original language	English
Pages (from-to)	154-156
Number of pages	3
Journal	Physica B: Condensed Matter
Volume	208-209
Issue number	C
DOIs	https://doi.org/10.1016/0921-4526(94)00655-f
State	Published - 1 Mar 1995
Externally published	Yes

Bibliographical note

Funding Information:
This research has been supported by DOE grant # DE-FG06-90ER45425.

Funding

This research has been supported by DOE grant # DE-FG06-90ER45425.

Funders	Funder number
U.S. Department of Energy	DE-FG06-90ER45425

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title = "Analysis of multiple-scattering XAFS data using theoretical standards",

abstract = "Theoretical standards for scattering amplitudes and phase shifts are often necessary for XAFS analysis, as for cases in which multiple scattering paths are important over the R-range of interest. Even when not necessary, they are often more convenient and reliable than experimental standards. We discuss several important considerations that must be taken into account to successfully compare ab initio theoretical calculations from FEFF to experimental XAFS spectra, and present a computer program, FEFFIT, to assist in using FEFF to get reliable information from experimental XAFS data.",

author = "M. Newville and B. Ravel and D. Haskel and Rehr, {J. J.} and Stern, {E. A.} and Y. Yacoby",

note = "Funding Information: This research has been supported by DOE grant # DE-FG06-90ER45425.",

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doi = "10.1016/0921-4526(94)00655-f",

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AU - Ravel, B.

AU - Haskel, D.

AU - Rehr, J. J.

AU - Stern, E. A.

AU - Yacoby, Y.

N1 - Funding Information: This research has been supported by DOE grant # DE-FG06-90ER45425.

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Y1 - 1995/3/1

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AB - Theoretical standards for scattering amplitudes and phase shifts are often necessary for XAFS analysis, as for cases in which multiple scattering paths are important over the R-range of interest. Even when not necessary, they are often more convenient and reliable than experimental standards. We discuss several important considerations that must be taken into account to successfully compare ab initio theoretical calculations from FEFF to experimental XAFS spectra, and present a computer program, FEFFIT, to assist in using FEFF to get reliable information from experimental XAFS data.

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Analysis of multiple-scattering XAFS data using theoretical standards

Abstract

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