Knowledge Bank

Full ab initio potential energy curves for the $X2\Pi g,A2\Pi u,a4\Sigma u-$ and $\mathrm{<mrow\; data-mjx-texclass="ORD">2</mrow>}\Sigma u-$ states of the $O2-$ ion have recently been calculated using the MCSCF technique. For the most accurate 76-configuration ground state wavefunction, the spectroscopic constants are in excellent agreement with those obtained from electron impact experiments. It is felt that this ground stare curve is significantly superior to earlier reported curves. The most accurate A state results (76-configuration MCSCF wavefunction) are expected to be of comparable accuracy as the ground state; somewhat leas accuracy is expected for the best calculations of the other two excited states. Eigenvalue and accurate transition probability calculations are underway for the $X2\Pi g$ and $A2\Pi u$ states. Our most recent results will be reported.