Electron correlation in d- and f-band materials
How do many-electron correlation methods like MP2, RPA, CC, etc. perform for d- and f-band materials? Can these correlation methods be used to provide accurate benchmark results, as required for the parameter settings in density functionals with a Hubbard correction (DFT+U) or hybrid functionals?
In our recent publication [1] we answer this question for reaction enthalpies and lattice geometries of cerium oxides (CeO2, Ce2O3) using MP2, RPA and RPA+rSOX (an exchange-like correction to the RPA).