For the present study, it is illustrative to vary the parameter x between 0 and 100% and to seek self-consistent solutions of the KS equation to investigate the extent of LM donation, for the following reason: It is by now well-known that DFT calculations with local density or generalized gradient functionals tend to suffer from a delocalization error (DE), which means that the resulting electronic structure is too delocalized. Specifically, the DE was shown to result in too much delocalization of nonbonding or weakly bonding orbitals and thus producing too strong LM donation and back-donation in transition metal, lanthanide, and actinide complexes. Lacking any dynamic correlation, HF calculations are known to produce an opposite error, i.e., a too localized electronic structure and too weak LM donation (and back-donation), which may be considered as a 'negative DE'. This was also demonstrated explicitly in the articles cited earlier. Hybrid functionals are typically somewhere in between. Commonly used fractions of eX of popular global hybrid functionals are in the 20 to 50% range, and we have shown in previous studies of f-shell occupations in selected lanthanide and actinide systems that the good performance of functionals such as PBE0 in benchmarks of molecular properties that depend on the density is not coincidental but goes along with a relatively weak DE and a reasonable extent of LM donation. After all, a well-performing approximate functional should not only produce an accurate energy but also an accurate electron density. More specifically, it has been shown that the standard PBE0 parametrization, with 25% eX, tends to afford a small delocalization error for actinide complexes, and therefore it is expected to produce the extent of LM donation in PuO 2 rather accurately.