Abstract
With electron propagator methods, electronic ionization and attachment energies are obtained directly. The multiconfigurational spin tensor electron propagator method (MCSTEP) is explicitly designed for systems with open shell and/or nondynamical correlation in the initial state. We apply MCSTEP to O2 at several internuclear separations and obtain and report the MCSTEP potential energy curves and the spectroscopic constants for the X 2Πg, a 4Πu, A 2Πu, b 4Σ−g, B 2Σ−g, 2Πu, and c 4Σ−u states of O+2.
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