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arXiv · 2210.07043

Connections between many-body perturbation and coupled-cluster theories

Raúl Quintero-Monsebaiz·Enzo Monino·Antoine Marie·Pierre-François Loos
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Abstract

Here, we build on the works of Scuseria (et al.) http://dx.doi.org/10.1063/1.3043729 and Berkelbach https://doi.org/10.1063/1.5032314 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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Raúl Quintero-Monsebaiz, Enzo Monino, Antoine Marie, Pierre-François Loos. 2022-10-13. Connections between many-body perturbation and coupled-cluster theories. https://doi.org/10.1063/5.0130837

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