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35
Manuscript/seniority.bib
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@ -832,3 +832,38 @@
volume = {14}, volume = {14},
year = {2018}, year = {2018},
bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.8b00406}} bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.8b00406}}
@article{Kossoski_2021,
author = {Kossoski, Fábris and Marie, Antoine and Scemama, Anthony and Caffarel, Michel and Loos, Pierre-François},
title = {Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster},
journal = {J. Chem. Theory Comput.},
volume = {17},
number = {8},
pages = {4756-4768},
year = {2021},
doi = {10.1021/acs.jctc.1c00348},
URL = {
https://doi.org/10.1021/acs.jctc.1c00348
},
eprint = {
https://doi.org/10.1021/acs.jctc.1c00348
}
}
@article{Marie_2021,
author = {Marie,Antoine and Kossoski,Fábris and Loos,Pierre-François },
title = {Variational coupled cluster for ground and excited states},
journal = {J. Chem. Phys.},
volume = {155},
number = {10},
pages = {104105},
year = {2021},
doi = {10.1063/5.0060698},
URL = {
https://doi.org/10.1063/5.0060698
},
eprint = {
https://doi.org/10.1063/5.0060698
}
}

4
Manuscript/seniority.tex
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@ -102,8 +102,8 @@ while higher sectors tend to contribute progressively less. \cite{Bytautas_2011,
In addition, sCI0 is size-consistent, a property that is not shared by higher orders of seniority-based CI. In addition, sCI0 is size-consistent, a property that is not shared by higher orders of seniority-based CI.
However, already at the sCI0 level, $\Ndet$ scales exponentially with $\Nbas$, since excitations of all degrees are included. However, already at the sCI0 level, $\Ndet$ scales exponentially with $\Nbas$, since excitations of all degrees are included.
Therefore, despite the encouraging successes of seniority-based CI methods, their unfavorable computational scaling restricts applications to very small systems. \cite{Shepherd_2016} Therefore, despite the encouraging successes of seniority-based CI methods, their unfavorable computational scaling restricts applications to very small systems. \cite{Shepherd_2016}
Besides CI, other methods that exploit the concept of seniority number have been pursued. \cite{Limacher_2013,Limacher_2014,Tecmer_2014,Boguslawski_2014a,Boguslawski_2015,Boguslawski_2014b,Boguslawski_2014c,Johnson_2017,Fecteau_2020,Johnson_2020,Johnson_2022,Fecteau_2022,Henderson_2014,Stein_2014,Henderson_2015,Chen_2015,Bytautas_2018} Besides CI, other methods that exploit the concept of seniority number have been pursued. \cite{Limacher_2013,Limacher_2014,Tecmer_2014,Boguslawski_2014a,Boguslawski_2015,Boguslawski_2014b,Boguslawski_2014c,Johnson_2017,Fecteau_2020,Johnson_2020,Johnson_2022,Fecteau_2022,Henderson_2014,Stein_2014,Henderson_2015,Kossoski_2021,Marie_2021,Chen_2015,Bytautas_2018}
\textcolor{red}{In particular, coupled cluster restricted to paired double excitations, \cite{Henderson_2014,Stein_2014,Henderson_2015} which is the same as the antisymmetric product of 1-reference orbital geminals, \textcolor{red}{In particular, coupled cluster restricted to paired double excitations, \cite{Henderson_2014,Stein_2014,Henderson_2015,Kossoski_2021,Marie_2021} which is the same as the antisymmetric product of 1-reference orbital geminals,
\cite{Limacher_2013,Limacher_2014,Tecmer_2014,Boguslawski_2014a,Boguslawski_2015,Boguslawski_2014b,Boguslawski_2014c,Johnson_2017,Fecteau_2020,Johnson_2020,Johnson_2022,Fecteau_2022} \cite{Limacher_2013,Limacher_2014,Tecmer_2014,Boguslawski_2014a,Boguslawski_2015,Boguslawski_2014b,Boguslawski_2014c,Johnson_2017,Fecteau_2020,Johnson_2020,Johnson_2022,Fecteau_2022}
provides very similar energies as DOCI, and at a very favourable polynomial cost.} provides very similar energies as DOCI, and at a very favourable polynomial cost.}