Throughout the remainder of this section, experimental Pu M 5 -edge HR-XANES and VB-RIXS spectra of PuO 2 are discussed along with computed spectra from LFDFT calculations. The comparison of NPA occupations from the calculated data are based on Kohn-Sham DFT calculations with the PBE0 functional (25% exact exchange) unless stated otherwise. As mentioned already, PBE0 was shown to afford a comparatively small delocalization error for actinide complexes and is therefore expected to produce the extent of LM donation rather accurately.