The interplay of the 3d9 and 3d10\underline{\bi{L}} electronic configurations in the copper K-edge XANES spectra of Cu(II) compounds

Chaboy, J.; Muñoz-Páez, A.; Sánchez Marcos, E.

doi:10.1107/S0909049506037800

Journal of Synchrotron Radiation Journal of
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Figure 3
Comparison of the experimental XANES spectrum at the Cu K-edge in CuO and the theoretical spectrum obtained as the weighted sum of the 3d⁹ (32%) and 3d¹⁰ $[\underline{L}]$ (68%) contributions (solid line); equal weighting (50%) of both channels (dotted line) and the calculation performed on the single-channel approximation (dashed line). All the calculations have been performed by using the Hedin–Lundqvist ECP and a convolution parameter Γ_C = 1.84 eV (see text for details).

JOURNAL OF
SYNCHROTRON
RADIATION

ISSN: 1600-5775

Volume 13| Part 6| October 2006| Pages 471-476

doi:10.1107/S0909049506037800

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