98 lines
2.9 KiB
TeX
98 lines
2.9 KiB
TeX
\documentclass[aps,prb,reprint,noshowkeys,superscriptaddress]{revtex4-1}
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\usepackage{graphicx,dcolumn,bm,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,wrapfig,txfonts}
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\usepackage[version=4]{mhchem}
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\newcommand{\ie}{\textit{i.e.}}
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\newcommand{\eg}{\textit{e.g.}}
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\newcommand{\alert}[1]{\textcolor{black}{#1}}
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\usepackage[normalem]{ulem}
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\newcommand{\titou}[1]{\textcolor{red}{#1}}
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\newcommand{\trashPFL}[1]{\textcolor{red}{\sout{#1}}}
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\newcommand{\PFL}[1]{\titou{(\underline{\bf PFL}: #1)}}
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\newcommand{\toto}[1]{\textcolor{green}{#1}}
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\newcommand{\trashAS}[1]{\textcolor{green}{\sout{#1}}}
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\newcommand{\AS}[1]{\toto{(\underline{\bf AS}: #1)}}
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\newcommand{\Ec}{E_\text{c}}
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\newcommand{\mEh}{$mE_h$}
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\newcommand{\Eh}{$E_h$}
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\newcommand{\mc}{\multicolumn}
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\newcommand{\fnm}{\footnotemark}
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\newcommand{\fnt}{\footnotetext}
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\newcommand{\tabc}[1]{\multicolumn{1}{c}{#1}}
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\newcommand{\QP}{\textsc{quantum package}}
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\usepackage[
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colorlinks=true,
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citecolor=blue,
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breaklinks=true
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]{hyperref}
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\urlstyle{same}
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\begin{document}
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\newcommand{\LCPQ}{Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\'e de Toulouse, CNRS, UPS, France}
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\newcommand{\CEISAM}{Universit\'e de Nantes, CNRS, CEISAM UMR 6230, F-44000 Nantes, France}
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\title{Reference correlation energies in finite Hilbert spaces: five- and six-membered rings}
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\author{Micka\"el V\'eril}
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\affiliation{\LCPQ}
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\author{Yann Damour}
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\affiliation{\LCPQ}
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\author{Anthony Scemama}
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\affiliation{\LCPQ}
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\author{Denis Jacquemin}
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\affiliation{\CEISAM}
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\author{Pierre-Fran\c{c}ois Loos}
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\email{loos@irsamc.ups-tlse.fr}
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\affiliation{\LCPQ}
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% Abstract
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\begin{abstract}
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\end{abstract}
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% Title
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\maketitle
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\section{Introduction}
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\section{Computational details}
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\section{Results and discussion}
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\begin{table*}
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\caption{
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\label{tab:Tab5-VDZ}}
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\begin{ruledtabular}
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\begin{tabular}{lcccccccccc}
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& \mc{2}{c}{Cyclopentadiene} & \mc{2}{c}{Furan} & \mc{2}{c}{Imidazole} & \mc{2}{c}{Pyrrole} & \mc{2}{c}{Thiophene} \\
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Method & $E$ (\Eh) & $\Ec$ (\mEh) & $E$ (\Eh) & $\Ec$ (\mEh) & $E$ (\Eh) & $\Ec$ (\mEh) & $E$ (\Eh) & $\Ec$ (\mEh) & $E$ (\Eh) & $\Ec$ (\mEh) \\
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\hline
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HF & \\
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MP2 & \\
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CCSD & \\
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CCSDT & \\
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CCSDTQ & \\
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CC2 & \\
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CC3 & \\
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CC4 & \\
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\end{tabular}
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\end{ruledtabular}
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\end{table*}
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\section{Conclusion}
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\begin{acknowledgements}
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This work was performed using HPC resources from GENCI-TGCC (2020-gen1738) and from CALMIP (Toulouse) under allocation 2020-18005.
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PFL and AS have received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant agreement No.~863481).
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\end{acknowledgements}
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\section*{Data availability statement}
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The data that support the findings of this study are openly available in Zenodo at \href{http://doi.org/XX.XXXX/zenodo.XXXXXXX}{http://doi.org/XX.XXXX/zenodo.XXXXXXX}.
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\bibliography{Ec}
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\end{document}
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