English

Connections between many-body perturbation and coupled-cluster theories

Chemical Physics 2022-12-19 v4 Materials Science Nuclear Theory

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 GWGW 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 GWGW and Bethe-Salpeter equations as non-linear CC-like equations. Similitudes between BSE@GWGW 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 GWGW and BSE frameworks.

Keywords

Cite

@article{arxiv.2210.07043,
  title  = {Connections between many-body perturbation and coupled-cluster theories},
  author = {Raúl Quintero-Monsebaiz and Enzo Monino and Antoine Marie and Pierre-François Loos},
  journal= {arXiv preprint arXiv:2210.07043},
  year   = {2022}
}

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6 pages