NOTICE: Due to a lapse in annual appropriations, most of this website is not being updated. Learn more.

Form submissions will still be accepted but will not receive responses at this time. Sections of this site for programs using non-appropriated funds (such as NVLAP) or those that are excepted from the shutdown (such as CHIPS and NVD) will continue to be updated.

U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

PUBLICATIONS

The effect of self-consistent potentials on EXAFS analysis

Published

Author(s)

Bruce Ravel, M. Newville, Josh J. Kas, John J. Rehr

Abstract

We present an EXAFS-oriented theory program based on the popular Feff8 and providing an application programming interface designed to make it easy to integrate high-quality theory into EXAFS analysis software. We then use this new code to examine the impact of self-consistent scattering potentials on EXAFS data analysis by methodical testing of theoretical fitting standards against a curated suite of measured EXAFS data. For each data set, we compare the results of a fit using a well-characterized structural model and theoretical fitting standards computed both with and without self-consistent potentials. We demonstrate that the use of self- consistent potentials has scant impact on the results of the EXAFS analysis.
Citation
Journal of Synchrotron Radiation
Volume
24
Pub Type
Journals

Download Paper

https://doi.org/10.1107/S1600577517011651
Local Download

Keywords

EXAFS, multiple scattering theory, self-consistent potentials
Spectroscopy

Citation

Ravel, B. , Newville, M. , Kas, J. and Rehr, J. (2017), The effect of self-consistent potentials on EXAFS analysis, Journal of Synchrotron Radiation, [online], https://doi.org/10.1107/S1600577517011651, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=923276 (Accessed October 14, 2025)

Issues

If you have any questions about this publication or are having problems accessing it, please contact [email protected].

Created November 1, 2017, Updated September 29, 2025
Was this page helpful?