RENORMALIZED GROUND-STATES IN ELECTRON PROPAGATOR THEORY

Electron propagator theory provides a correlated one-electron picture of bonding through accurate calculations of electron binding energies and Feynman-Dyson amplitudes. Reference state averages are improved with certain infinite-order corrections by employing amplitudes from coupled cluster singles and doubles calculations. The results contain all corrections to Koopmans's theorem through third-order and many infinite-order corrections. Illustrative calculations are performed on the ionization energies of H2O, HF, BH, and OH-, and on the electron affinities of CaF+ and CH+.