TY - JOUR
T1 - Analysis of multiple-scattering XAFS data using theoretical standards
AU - Newville, M.
AU - Ravel, B.
AU - Haskel, D.
AU - Rehr, J. J.
AU - Stern, E. A.
AU - Yacoby, Y.
PY - 1995/3/1
Y1 - 1995/3/1
N2 - 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.
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.
UR - http://www.scopus.com/inward/record.url?scp=54749090787&partnerID=8YFLogxK
U2 - 10.1016/0921-4526(94)00655-F
DO - 10.1016/0921-4526(94)00655-F
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AN - SCOPUS:54749090787
SN - 0921-4526
VL - 208-209
SP - 154
EP - 156
JO - Physica B: Condensed Matter
JF - Physica B: Condensed Matter
IS - C
ER -