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Article Dans Une Revue Journal of Chemical Physics Année : 2023

Connections between many-body perturbation and coupled-cluster theories

Enzo Monino
  • Fonction : Auteur
Antoine Marie
Pierre-François Loos

Résumé

Here, we build on the works of Scuseria (et al.) this http URL and Berkelbach this https URL to show connections between the Bethe-Salpeter equation (BSE) formalism combined with the GW approximation from many-body perturbation theory and coupled-cluster (CC) theory at the ground- and excited-state levels. In particular, we show how to recast the GW and Bethe-Salpeter equations as non-linear CC-like equations. Similitudes between BSE@GW and the similarity-transformed equation-of-motion CC method introduced by Nooijen are also put forward. The present work allows to easily transfer key developments and general knowledge gathered in CC theory to many-body perturbation theory. In particular, it may provide a path for the computation of ground- and excited-state properties (such as nuclear gradients) within the GW and BSE frameworks.
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Dates et versions

hal-03814626 , version 1 (14-10-2022)

Identifiants

Citer

Raúl Quintero-Monsebaiz, Enzo Monino, Antoine Marie, Pierre-François Loos. Connections between many-body perturbation and coupled-cluster theories. Journal of Chemical Physics, 2023, 157 (23), pp.231102. ⟨10.1063/5.0130837⟩. ⟨hal-03814626⟩
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