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The isostructural {\alpha}-{\gamma} phase transition in cerium is analyzedusing density-functional theory with different exchange-correlationfunctionals, in particular the PBE0 hybrid functional and the exact- exchangeplus correlation in the random-phase approximation [(EX+cRPA)@PBE0] approach.We show that the Hartree-Fock exchange part of the hybrid functional actuatestwo distinct solutions at zero temperature that can be associated with the{\alpha} and {\gamma} phases of cerium. However, despite the relatively goodstructural and magnetic properties, PBE0 predicts the {\gamma} phase to be thestable phase at ambient pressure and zero temperature, in contradiction withlow temperature experiments. EX+cRPA reverses the energetic ordering, whichemphasizes the importance of correlation for rare- earth systems.

Density-functional Theory for f electron Systems: the {\alpha}-{\gamma} Phase Transition in Cerium