Abstract
Electron propagator calculations of various levels are compared with coupled-cluster and Fock-space coupled-cluster methods on O 2 ionization energies where final states are dominated by a single configuration. Among the electron propagator method is an approximation that employs correlations to reference state density matrices from a coupled-cluster singles and doubles calculation. The closest agreement between the two classes of methods occurs between renormalized electron propagator approximations and the Δ coupled-cluster singles and doubles method,e ven though the latter is not, like the Fock-space methods, a direct method for ionization energies. Basis set effects are also examined. Vertical ionization energies within 0.2 eV of experiment obtain with the coupled-cluster reference electron propagator calculations
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