GROUND-STATE SPLITTINGS OF ACTINIDE IONS IN $CaF_{2}$
Loading...
Date
1997
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
The energy-level splittings of $Am^{2-}, Cm^{3+}, Es^{2+}, Pu^{3+}$, and $U^{4+}$ in an octahedral site of $CaF_{2}$ were studied using restricted Hartree-Fock and spin-orbit configuration-interaction calculations. The $CaF_{2}$ host was modeled with a large finite cluster of ions which approximate the Madclung potential of the crystal $lattice^{h}$. 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.
Description
$^{h}$N, W. Winter. M. Ross and R. M. Pitzer {J. Phys. Chem.} 94, 1172 (1990)
Author Institution: Department of Chemical Physics, The Ohio State University
Author Institution: Department of Chemical Physics, The Ohio State University