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small additions in ccl

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Pierre-Francois Loos 2022-10-11 15:51:37 +02:00
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CCvsMBPT.tex
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@ -719,7 +719,8 @@ The $G_0W_0$ quasiparticle energies can be easily obtained via the procedure des
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\section{Conclusion}
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Here, we have unveiled exact similarities between many-body perturbation and CC theories at the ground- and excited-state levels.
Here, we have unveiled exact similarities between CC and many-body perturbation theory at the ground- and excited-state levels.
More specifically, we have shown how to recast $GW$ and BSE as non-linear CC-like equations that can be solved with the usual CC machinery with the same computational cost.
The conventional and CC-based versions of the BSE and $GW$ schemes that we have described in the present work have been implemented in the electronic structure package QuAcK \cite{QuAcK} (available at \url{https://github.com/pfloos/QuAcK}) with which we have numerically checked these exact equivalences.
Similitudes between BSE@$GW$ and STEOM-CC have been put forward.
We hope that the present work may provide a path for the computation of ground- and excited-state properties (such as nuclear gradients) within the $GW$ \cite{Lazzeri_2008,Faber_2011b,Yin_2013,Montserrat_2016,Zhenglu_2019} and BSE \cite{IsmailBeigi_2003,Caylak_2021,Knysh_2022} frameworks, and broaden the applicability of Green's function methods in the molecular electronic structure community and beyond.