The Magic of X-Rays
Anna I. Krylov
Department of Chemistry, University of Southern California, Los Angeles, California, USA
website: http://iopenshell.usc.edu
https://orcid.org/0000-0001-6788-5016
krylov@usc.edu

Spectroscopy is a powerful tool for interrogating the matter. X-rays, discovered by Roentgen in 1895, serve as a basis for a plethora of new spectroscopic techniques, which offer unique insights. However, decoding the message delivered by the spectra is far from trivial. How do we convert the spectra into what the nuclei and electrons are doing? The theoretical modeling provides a way to do so. This lecture will discuss new and old challenges faced by quantum chemistry in the context of modeling electronic structure in high-energy regime and highlight recent progress in many-body methodology in treating spectroscopic signatures of core-vacancy states.