We present a computational study of resonant inelastic x-ray scattering (RIXS) at the L
edges of selected 3 d transition-metal oxides using a combination of the density-functional
theory and the dynamical mean-field theory (DMFT). The present method, built around the
Anderson impurity model with a DMFT-optimized continuum bath, can be viewed as an
extension of the cluster model that allows us to include unbound electron-hole pair
excitations and to substantially reduce the number of empirical parameters. We find a good …

[en] We present a computational study of L-edge resonant inelastic x-ray scattering (RIXS) in
3d transition-metal (TM) oxides: NiO; RNiO 3; Fe 2 O 3; LaCuO 3 and NaCuO 2, where we
employ a theoretical approach based on local density approximation and dynamical mean-
field theory (DMFT). We use the Anderson impurity model (AIM) with DMFT hybridization
function extended by inclusion of core orbitals. This approach enables us to describe both
localized (dd) and delocalized (unbound electron-hole pair) excitations in the RIXS spectra …