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Anthony Scemama 2020-08-23 09:49:04 +02:00
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@ -47,7 +47,7 @@ Following the recent work of Eriksen \textit{et al.} [\href{https://arxiv.org/ab
\maketitle \maketitle
% Intro % Intro
Although sometimes decried, one cannot denied the usefulness of benchmark sets and their corresponding reference data for the electronic structure community. Although sometimes decried, one cannot deny the usefulness of benchmark sets and their corresponding reference data for the electronic structure community.
These are indeed essential for the validation of existing theoretical models and to bring to light and subsequently understand their strengths and, more importantly, their weaknesses. These are indeed essential for the validation of existing theoretical models and to bring to light and subsequently understand their strengths and, more importantly, their weaknesses.
In that regard, the previous benchmark datasets provided by the \textit{Simons Collaboration on the Many-Electron Problem} have been extremely valuable. \cite{Leblanc_2015,Motta_2017,Williams_2020} In that regard, the previous benchmark datasets provided by the \textit{Simons Collaboration on the Many-Electron Problem} have been extremely valuable. \cite{Leblanc_2015,Motta_2017,Williams_2020}
Following a similar goal, we have recently proposed a large set of highly-accurate vertical transition energies for various types of excited states thanks to the renaissance of selected configuration interaction (SCI) methods \cite{Bender_1969,Huron_1973,Buenker_1974} which can now routinely produce near full configuration interaction (FCI) quality excitation energies for small- and medium-sized organic molecules. \cite{Loos_2018a,Loos_2019,Loos_2020a,Loos_2020b,Loos_2020c} Following a similar goal, we have recently proposed a large set of highly-accurate vertical transition energies for various types of excited states thanks to the renaissance of selected configuration interaction (SCI) methods \cite{Bender_1969,Huron_1973,Buenker_1974} which can now routinely produce near full configuration interaction (FCI) quality excitation energies for small- and medium-sized organic molecules. \cite{Loos_2018a,Loos_2019,Loos_2020a,Loos_2020b,Loos_2020c}