MRSDCI STUDIES OF 4 LOW-LYING ELECTRONIC STATES OF THE OF2+ ION

The equilibrium geometries, excitation energies, force constants and vibrational frequencies for the low-lying electronic states XB-2(1), B-2(2), 2A1 and 2A2 of the OF2+ ion have been calculated at the MRSDCI level with a double zeta plus polarization basis set. Our calculated excitation energies for these electronic states and vibrational frequency for XB-2(1), are in agreement with experimental data obtained via photoelectron spectroscopy of the OF2 radical. The electronic transition dipole moments, oscillator strengths for the 2A1-->XB-2(1) and 2A2-XB-2(1) transitions, radiative lifetimes for the 2A1 and 2A2 states and the spin properties for the XB-2(1), state are calculated based on the MRSDCI wavefunctions.