F. Michelcalendini, OPTICAL-PROPERTIES OF CR3+ AND NI2+ IONS IN MGO, LINBO3 AND LMA, Radiation effects and defects in solids, 134(1-4), 1995, pp. 175-177
The electronic structures of Co2+ and Ni2+ ions are obtained by the mo
lecular orbital LCGTO-LSD method. Electrostatic matrix calculations ar
e performed for d(3) and d(8) configurations. Theoretical optical data
are discussed in function of the impurity site location in the crysta
l cell.