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arxiv: 1709.02288 · v1 · pith:P7DMOYIMnew · submitted 2017-09-07 · ❄️ cond-mat.mtrl-sci

Exciting core-level spectroscopy

classification ❄️ cond-mat.mtrl-sci
keywords absorptionapproachaddressall-electronanalyzingbethe-salpeterbindingbroad
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We delineate an ab initio approach for obtaining x-ray absorption spectra as provided by many-body perturbation theory, together with its realization within an all-electron framework. Employing the Bethe-Salpeter equation, we address excitations from different absorption edges in a broad range of material classes, analyzing exciton binding strengths and character. We also discuss when the supercell core-hole approach is likely to fail.

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