Renormalized Singles with Correlation in GW Green's Function Theory for Accurate Quasiparticle Energies.

We apply the renormalized singles with the correlation (RSc) Green function in the GW approximation for accurate quasiparticle (QP) energies and orbitals. The RSc Green function includes singles contributions from the associated density functional approximation (DFA) and considers correlation contributions perturbatively. G RSc W RSc uses the RSc Green function as the new starting point and in the formulation of the screened interaction. G RSc W 0 fixes the screened interaction at the DFA level. For the calculations of ionization potentials, G RSc W RSc and G RSc W 0 significantly reduce the starting point dependence and provide accurate results with errors around 0.2  eV. For the calculations of core-level binding energies, G RSc W RSc slightly overestimates the results because of underscreening, but G RSc W 0 with GGA functionals provides the optimal accuracy with errors of 0.40  eV. We also show that G RSc W RSc predicts accurate dipole moments. G RSc W RSc and G RSc W 0 , are computationally favorable compared with any self-consistent GW methods. The RSc approach is promising for making GW and other Green function methods efficient and robust.