Connection between GW and Extended Coupled Cluster

Résumé fourni par la source

Coupled-cluster (CC) theory and Green’s function many-body perturbation theory (MBPT) have long evolved as distinct yet complementary frameworks for describing electronic correlation. While CC methods employ exponential wave function parametrizations that guarantee size extensivity and systematic improvability, Green’s function approaches, such as the GW approximation, describe quasiparticle and optical excitations through diagrammatic resummations. Recent analyses have established a formal correspondence between these frameworks: the GW approximation is equivalent to an equation-of-motion (EOM) treatment of the direct-ring coupled-cluster doubles (drCCD) method. Within this context, the extended CC (ECC) ansatz offers a unified framework connecting CC and MBPT. This formulation bridges CC-based and Green’s function-based methods, providing novel avenues for incorporating vertex corrections within a CC framework that preserves a sum-over-state representation of the self-energy and leads to potentially systematically improvable Green’s function approaches.