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Figure 10
Comparison of the experimental XANES spectrum at the Mn K-edge in LaMnO3 (open circles) and the theoretical spectra calculated cluster by imposing an overlapping factor of 1%, lmax = 4 and the real part of the HL potential on clusters of increasing size (87, 119 and 295 atoms) covering up to 6 Å (green, dashed line), 6.75 (red, dotted line) and 9.5 Å (blue, solid line) around the absorbing Mn atom. In the inset, a comparison of the computation performed on the 119 atoms cluster by imposing an overlapping factor of 1% (blue, solid line) and 10% (red, dotted line) is shown. 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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