The potential energy curves of the X2Πg, ai4Πu,ia2Πu, b4Σg-, B2Σg-,2Πu, and c4Σu-states of O2+obtained... Academic Article uri icon

abstract

  • Full title: The potential energy curves of the X2Πg, ai4Πu,ia2Πu, b4Σg-, B2Σg-,2Πu, and c4Σu-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 X2Πg, α4Πu, A2Πu, b4Σg-, B2Σg-,2Πu, and c4ΣΣu-states of O2+. © 1994 American Institute of Physics.

author list (cited authors)

  • Yeager, D. L., Nichols, J. A., & Golab, J. T.

citation count

  • 22

publication date

  • January 1994