Potential energy functions for the ground state X-3 Sigma(-) and state 1 Sigma(+) of UO

Based on group theory and atomic and molecular reactive statics (AMRS), the ground state X(3)Sigma(-) and excited state (1)Sigma(+) of UO and their re asonable dissociation limits are derived successfully. Using the MP2 method with the relativistic effective core potential and Valence electron basis set (5s4p3d4f)/[3s3p2d2f] for the U atom and basis set 6-311G* for the O at om. the present work has calculated the potential energy curves for the gro und state X(3)Sigma(-) and excited state (1)Sigma(+) of UO. The equilibrium distance and dissociation energy are 0.1833 nm and 6.9241 eV for the X(3)S igma(-) state, and 0.1825 nm and 8.5756 eV for the (1)Sigma(+) state. Spect roscopic data are derived for the first time.