Connection between $GW$ and Extended Coupled Cluster

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Authors: Johannes Tölle, Marios‐Petros Kitsaras, Andreas Irmler, Andreas Grüneis, Pierre‐François Loos
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Abstract

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 wavefunction 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 lead to potentially systematically improvable Green's function approaches.

Fields of Study & Subjects

Advanced Chemical Physics Studies Quantum many-body systems Physics of Superconductivity and Magnetism

Publication details

Journal / source
arXiv (Cornell University)
Publication date
11 February 2026
Language
EN
Document type
Preprint