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Figure 11
(a) Comparison of the experimental XANES spectrum at the Mn K-edge in LaMnO3 (open circles) and the theoretical spectra calculated by imposing an overlapping factor of 1%, lmax = 3, and by using the complex HL potential in clusters of 87 atoms (green, dotted line) and 295 atoms (purple, solid line). (b) Comparison of the computations performed by using lmax = 4 on clusters containing 125 atoms (rmax = 7 Å) (red, dotted line), 167 atoms (rmax = 8 Å) (blue, dashed line) and 295 atoms (rmax = 9.5 Å) (green, solid line). 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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