A simple many-body based screening optimization and mixing ansatz for improvement of GW/BSE excitation energies of molecular systems
We propose a simple many-body based screening mixing strategy to considerably enhance the performance of the Bethe-Salpeter (BS) approach for prediction of excitation energies of molecular systems. This strategy enables us to nearly reproduce results of highly correlated equation of motion coupled cluster singles and doubles (EOM-CCSD) through optimal use of cancellation effects.
physics.chem-ph↗