TY - JOUR
KW - paper
AU - Christian Vorwerk
AU - Francesco Sottile
AU - Claudia Draxl
AB - 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.
BT - Phys. Chem. Chem. Phys.
DO - 10.1039/D2CP00994C
N2 - 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.
PB - The Royal Society of Chemistry
PY - 2022
SP - 17439
EP - 17448
T2 - Phys. Chem. Chem. Phys.
TI - All-electron many-body approach to resonant inelastic X-ray scattering
UR - http://dx.doi.org/10.1039/D2CP00994C
VL - 24
ER -