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arXiv · 1709.02288

Exciting core-level spectroscopy

Claudia Draxl·Caterina Cocchi
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Abstract

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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Claudia Draxl, Caterina Cocchi. 2017-09-07. Exciting core-level spectroscopy. https://arxiv.org/abs/1709.02288

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