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Figure 2
Comparison of the experimental Mn K-edge XANES spectra (open circles) of LaMnO3 and CaMnO3 and the theoretical spectra (green, dashed line) calculated on clusters containing 125 atoms by imposing an overlapping factor of 1% and lmax = 4 and by using complex ECP potentials (see Appendix A[link] for details): HL (blue, dotted line) and complex DH (green, dashed 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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