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- W4387310867 abstract "In order to explain all of the spectral features observed in the U O4,5 x-ray absorption spectrum of uranium dioxide (UO2), it is necessary to include both multielectron effects and multiatomic effects. The 5d (core hole)-5f (electron) angular momentum coupling that gives rise to the giant resonance has been treated within ligand field density functional theory, and the electron scattering that generates the extended x-ray absorption fine structure has been included via the spectral simulation program FEFF: both within a UO8 fluorite cluster picture. An atomic model is insufficient to explain all of the observed spectral features." @default.
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- W4387310867 date "2023-10-03" @default.
- W4387310867 modified "2023-10-05" @default.
- W4387310867 title "Multielectronic and multiatomic effects in the U O4,5 x-ray absorption spectroscopy of uranium dioxide" @default.
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- W4387310867 doi "https://doi.org/10.1116/6.0002969" @default.
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