A theoretical study of the bonding in trivalent americium complexes
An account of the electronic structure of AmF3 and AmCl3 has been obtained by Complete Active Space calculations (CASSCF and CASPT2) using either a scalar Douglas-Kroll-Hess Hamiltonian or a relativistic effective core potential. It has been compared to the description obtained by density functional theory (DFT) methods combined with a quasi-relativistic ZORA approach, either in the scalar or two-
