a4u,A2u,b4g,B2g,2u, andc4ustates of O+2obtained using the multiconfigurational spin tensor electron propagator method The potential energy curves of theX2g

Full title: The potential energy curves of the X2g, ai4u,ia2u, b4g-, B2g-,2u, and c4u-states of O2+obtained using the muiticonfigurational spin tensor electron propagator method. 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 O2at several internuclear separations and obtain and report the MCSTEP potential energy curves and the spectroscopic constants for the X2g, 4u, A2u, b4g-, B2g-,2u, and c4u-states of O2+. 1994 American Institute of Physics.

The potential energy curves of theX²_g,a⁴_u,A²_u,b⁴_g,B²_g,²_u, andc⁴_ustates of O⁺₂obtained using the multiconfigurational spin tensor electron propagator method Academic Article