Real-time Dyson expansion for the nonequilibrium $GW$ approximation: Correlated spectra and dependence on the reference propagator

RESUMO

Electronic spectra provide direct insight into the excitations and correlations of condensed matter systems. Their description requires electron correlations beyond mean field. In equilibrium, the $GW$ approximation has become the method of choice for many materials. Extending this approximation to nonequilibrium, however, is challenging. Full two-time $GW$ simulations within the nonequilibrium Green's functions approach scale at least cubically with propagation time, whereas improved scaling schemes such as time-local (adiabatic) approximations or the generalized Kadanoff--Baym ansatz usually retain only mean-field character in the spectra. The recently introduced real-time Dyson expansion recovers dynamical correlations in the spectrum at time-linear cost, but has so far been restricted to the second-order Born approximation with mean-field reference propagators. Here we formulate and implement the RT-DE for the nonequilibrium $GW$ self-energy with reference propagators of general form whose off-diagonal evolution is time local. In particular, we assess Hartree--Fock propagators, propagators with statically screened exchange with nonequilibrium screening, and a correlated propagator based on the Hartree--Fock GKBA. Benchmarks against exact diagonalization for a driven two-band lattice model with long-range interactions show that the mean-field and statically screened references yield the most accurate spectra, including satellite structures absent at mean-field level, whereas the GKBA-based approach best captures scattering-induced occupation dynamics, but artificially broadens and splits spectral peaks. When applied to large systems that are beyond the reach of exact methods, the scheme resolves the excitonic replica of the valence band and satellites identified as exciton shake-up, as well as their reshaping with increasing excitation density.