10min:

SCOTT R. BROZELL AND RUSSELL M. PITZER, Department of Chemical Physics, The Ohio State University, Columbus, OH 43210.

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 Madelung potential of the crystal lattice. 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.