Electron detachment energies of closed-shell anions calculated with a renormalized electron propagator

Vertical electron detachment energies of 10 closed-shell anions (F-, OH-, NH2-, Cl-, SH-, PH2-, CN-, BO-, AlO-, AIS(-)) are calculated with an ab initio implementation of a new electron propagator approximation. In this method, the reference state is defined in terms of the Brueckner-doubles coupled-cluster wavefunction. The operator manifold consists of hole (h), particle (p), shakeup (2hp) and shake on (2ph) operators. Couplings between 2hp and 2ph operators are neglected. Augmented correlation-consistent triple-zeta basis sets are used. Estimates of the corresponding adiabatic electron detachment energies (electron affinities of the neutrals) are compared with photoelectron experiments. The maximum error is 0.14 eV; the average absolute error is 0.05 eV. (C) 1998 Elsevier Science B.V. All rights reserved.