A simple many-body based screening optimization and mixing ansatz for improvement of GW/BSE excitation energies of molecular systems

摘要

We propose a simple many-body based screening mixing strategy to considerablyenhance the performance of the Bethe-Salpeter (BS) approach for prediction ofexcitation energies of molecular systems. This strategy enables us to nearlyreproduce results of highly correlated equation of motion coupled clustersingles and doubles (EOM-CCSD) through optimal use of cancellation effects.