Knowledge Bank

The energy-level splittings of $Am2-,Cm3+,Es2+,Pu3+$, and $U4+$ in an octahedral site of $CaF2$ were studied using restricted Hartree-Fock and spin-orbit configuration-interaction calculations. The $CaF2$ host was modeled with a large finite cluster of ions which approximate the Madclung potential of the crystal $latticeh$. The actinide dopants were treated with relativistic effective core potentials and Gaussian correlation consistent double-zeta plus polarization basis sets. The primary properties of interest are energy splittings and magnetic moments.