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Figure 2
XAFS of rutile TiO2, calculated using the FDMX package with a full-potential FDM representation (solid blue line), and an equivalent full multiple scattering (FMS) calculation (dashed red line). Both spectra utilize the same physical models in FDMX for thermal motion, lifetime broadening and background processes, meaning that all differences between the spectra result directly from approximations of the FMS approach in the electronic potential.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 23| Part 2| March 2016| Pages 551-559
doi:10.1107/S1600577516001193
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