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All-electron many-body approach to resonant inelastic X-ray scattering

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  • All-electron many-body approach to resonant inelastic X-ray scattering
Author
Christian Vorwerk
Francesco Sottile
Claudia Draxl
Keywords
paper
Abstract

We present a formalism for the resonant inelastic X-ray scattering (RIXS) cross section. The resulting compact expression in terms of polarizability matrix elements, particularly lends itself to the implementation in an all-electron many-body perturbation theory (MBPT) framework, which is realized in the full-potential package exciting. With the carbon K edge RIXS of diamond and the oxygen K edge RIXS of β-Ga2O3, respectively, we demonstrate the importance of electron-hole correlation and atomic coherence in the RIXS spectra.

Year of Publication
2022
Journal
Phys. Chem. Chem. Phys.
Volume
24
Number of Pages
17439-17448
URL
http://dx.doi.org/10.1039/D2CP00994C
DOI
10.1039/D2CP00994C
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