Ab initio calculation of crystalline electric fields and kondo temperatures in ce compounds

We have calculated the band-f hybridizations for Ce_xLa_1−xM₃ compounds (x = 1 and x →0; M = Pb, In, Sn, Pd) within the local density approximation and fed this into a noncrossing approximation for the Anderson impurity model applied to both dilute and concentrated limits. Our calculations produce crystalline electric field splittings and Kondo temperatures with trends in good agreement with experiment and demonstrate the need for detailed electronic structure information on hybridization to describe the diverse behaviors of these Ce compounds.