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Figure 12
MS calculations of the O K-edge spectra in BaTiO3. (a) The decomposed calculation of the eight-shell cluster taking O2 as the center but suppressing the d bases of Ti and Ba; (b) the same as (a) but only suppressing the Ba d bases; (c) the same as (a) but only suppressing the Ti d bases; (d) the normal eight-shell cluster results (without convolution).

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 9| Part 6| November 2002| Pages 394-400
doi:10.1107/S0909049502014000
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