Recursion method for multiple-scattering XAFS Debye-Waller factors

Authors
Poiarkova, AV Rehr, JJ
Citation
Av. Poiarkova et Jj. Rehr, Recursion method for multiple-scattering XAFS Debye-Waller factors, J SYNCHROTR, 6, 1999, pp. 313-314
Citations number
5
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF SYNCHROTRON RADIATION
ISSN journal
09090495 → ACNP
Volume
6
Year of publication
1999
Part
3
Pages
313 - 314
Database
ISI
SICI code
0909-0495(19990501)6:<313:RMFMXD>2.0.ZU;2-P
Abstract
An efficient, finite temperature, recursion method (RM) is introduced for c alculations of the mean-square relative displacements sigma(2) in multiple scattering (MS) XAFS Debye-Waller factors. Instead of calculating total pro jected densities of modes, the calculations are based on a double delta-fun ction representation. Results for the Debye-Waller factors are found to be in agreement with equation-of-motion (EM) method to within about 10% percen t for all MS paths.