Abstract

Both O K and Cu Lα X-ray fluorescence spectra of Cu 2O and CuO at room temperature were obtained using suitable X-ray photon excitation sources. Non-empirical Hartree-Fock molecular orbital calculations on small copper-oxygen clusters are also reported. The valence molecular orbitals which are responsible for various features of the experimental spectra have been identified with reasonable correlation between theory and experiment for all the spectra.

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