English

Exciting core-level spectroscopy

Materials Science 2017-09-08 v1

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.

Keywords

Cite

@article{arxiv.1709.02288,
  title  = {Exciting core-level spectroscopy},
  author = {Claudia Draxl and Caterina Cocchi},
  journal= {arXiv preprint arXiv:1709.02288},
  year   = {2017}
}

Comments

Accepted for publication in International Tables for Crystallography Volume I: X-ray Absorption Spectroscopy and Related Texhniques

R2 v1 2026-06-22T21:36:06.426Z