15min:

TIANXIAO YANG AND RUSSELL M. PITZER, Department of Chemistry, The Ohio State University, 100 W.18th Avenue, Columbus, OH, 43210.

Using relativistic effective core potentials, spin-orbit configuration interaction (SOCI) calculations have been performed to compute the electronic transitions of SmO and SmO⁺. The ordering and positions of the low-lying states of SmO are shown to be in very good agreement with the experimental measurements^,and those calculated from ligand field theory. The SOCI calculations confirmed that the lowest superconfiguration of SmO is Sm²⁺(4f⁵6s)O^2-. The ground electronic state of SmO is X 0^-. The upper state configuration is Sm²⁺(4f⁵5p )O^2-. The electronic transitions of SmO⁺ will also be discussed.