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Figure 13
(a) Comparison of the experimental XANES spectrum at the Mn K-edge in CaMnO3 (filled circles) and the theoretical spectra calculated for different cluster sizes: (green, solid line) 87 atoms (rmax = 6 Å); (blue, dotted line) 125 atoms (rmax = 6.6 Å); (red, dashed line) 143 atoms (rmax = 7 Å). (b) Comparison of the computations performed on the 125 atoms cluster by using both complex HL (blue, solid line) and DH (red, dotted line) potentials. This figure is in colour in the electronic version of this paper.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 16| Part 4| May 2009| Pages 533-544
doi:10.1107/S0909049509012199
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