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- W2046446789 abstract "Theoretical investigation of x-ray core-level spectroscopy requires calculation of electronic core states in the static effective potential. Thereby the aspherical part of the potential is usually neglected. The effect of this aspherical part on the mixing of the $2{p}_{1∕2}$ and $2{p}_{3∕2}$ states of the early transition metal Cr in $mathrm{Cr}{mathrm{O}}_{2}$ is determined by ab initio density-functional electron theory in the $mathrm{LDA}+mathrm{U}$ version, and its influence on the x-ray circular dichroism spectra at the ${L}_{2}$ and ${L}_{3}$ edges is investigated. It turns out that the influence is rather small, which justifies neglecting it in theoretical investigations of x-ray core-level spectroscopy." @default.
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- W2046446789 date "2007-06-25" @default.
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- W2046446789 title "Theory of x-ray absorption spectroscopy in solids: Mixing of the core states by the aspherical effective potential" @default.
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- W2046446789 doi "https://doi.org/10.1103/physrevb.75.214426" @default.
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