Please use this identifier to cite or link to this item:
Title: An investigation of the use of the Hedin-Lundqvist exchange and correlation potential in EXAFS data analysis
Authors: Roy, Mervyn
Gurman, Steve J.
First Published: Jul-2001
Publisher: International Union of Crystallography
Citation: Journal of Synchrotron Radiation, 2001, 8 (4), pp. 1095-1102.
Abstract: In real systems, inelastic processes remove photoelectrons from the elastic scattering channel. This reduces the amplitude of the EXAFS. Traditionally the discrepancies between experimental and theoretical amplitudes were treated by including two semi-empirical reduction factors in the data analysis. Some inelastic effects may, however, be modelled more rigorously using a complex exchange and correlation potential, for example the Hedin-Lundqvist (HL) potential used in most EXAFS data-analysis programs. In this paper a systematic study of the effects of the HL potential on the calculated EXAFS amplitudes is presented. Expressions are derived whereby the EXAFS amplitudes may be examined in the presence of an arbitrary complex potential independently to the rest of the EXAFS signal. These results are used to study the effects of the HL potential on EXAFS data analysis in detail.
DOI Link: 10.1107/S0909049501006434
ISSN: 0909-0495
Type: Article
Rights: This is an authorised electronic reprint of the paper published as Journal of Synchrotron Radiation, 2001, 8 (4), pp. 1095-1102. This paper is available from Doi: 10.1107/S0909049501006434
Appears in Collections:Published Articles, Dept. of Physics and Astronomy

Files in This Item:
File Description SizeFormat 
jsyncrad-8-1095-2001.pdf702.52 kBAdobe PDFView/Open

Items in LRA are protected by copyright, with all rights reserved, unless otherwise indicated.