\documentclass[aps,prb,reprint,noshowkeys,superscriptaddress]{revtex4-1} \usepackage{graphicx,dcolumn,bm,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,wrapfig,txfonts} \usepackage[version=4]{mhchem} \newcommand{\ie}{\textit{i.e.}} \newcommand{\eg}{\textit{e.g.}} \newcommand{\alert}[1]{\textcolor{black}{#1}} \usepackage[normalem]{ulem} \newcommand{\titou}[1]{\textcolor{red}{#1}} \newcommand{\trashPFL}[1]{\textcolor{red}{\sout{#1}}} \newcommand{\PFL}[1]{\titou{(\underline{\bf PFL}: #1)}} \newcommand{\toto}[1]{\textcolor{green}{#1}} \newcommand{\trashAS}[1]{\textcolor{green}{\sout{#1}}} \newcommand{\AS}[1]{\toto{(\underline{\bf AS}: #1)}} \newcommand{\Ec}{E_\text{c}} \newcommand{\mEh}{$mE_h$} \newcommand{\Eh}{$E_h$} \newcommand{\mc}{\multicolumn} \newcommand{\fnm}{\footnotemark} \newcommand{\fnt}{\footnotetext} \newcommand{\tabc}[1]{\multicolumn{1}{c}{#1}} \newcommand{\QP}{\textsc{quantum package}} \usepackage[ colorlinks=true, citecolor=blue, breaklinks=true ]{hyperref} \urlstyle{same} \begin{document} \newcommand{\LCPQ}{Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\'e de Toulouse, CNRS, UPS, France} \newcommand{\CEISAM}{Universit\'e de Nantes, CNRS, CEISAM UMR 6230, F-44000 Nantes, France} \title{Reference correlation energies in finite Hilbert spaces: five- and six-membered rings} \author{Micka\"el V\'eril} \affiliation{\LCPQ} \author{Yann Damour} \affiliation{\LCPQ} \author{Anthony Scemama} \affiliation{\LCPQ} \author{Denis Jacquemin} \affiliation{\CEISAM} \author{Pierre-Fran\c{c}ois Loos} \email{loos@irsamc.ups-tlse.fr} \affiliation{\LCPQ} % Abstract \begin{abstract} \end{abstract} % Title \maketitle \section{Introduction} \section{Computational details} \section{Results and discussion} \begin{squeezetable} \begin{table*} \caption{ \label{tab:Tab5-VDZ}} \begin{ruledtabular} \begin{tabular}{lcccccccccc} & \mc{2}{c}{Cyclopentadiene} & \mc{2}{c}{Furan} & \mc{2}{c}{Imidazole} & \mc{2}{c}{Pyrrole} & \mc{2}{c}{Thiophene} \\ \cline{2-3} \cline{4-5} \cline{6-7} \cline{8-9} \cline{10-11} Method & $E$ (\Eh) & $\Ec$ (\mEh) & $E$ (\Eh) & $\Ec$ (\mEh) & $E$ (\Eh) & $\Ec$ (\mEh) & $E$ (\Eh) & $\Ec$ (\mEh) & $E$ (\Eh) & $\Ec$ (\mEh) \\ \hline HF & $-192.808\,320$ & & $-228.643\,313$ & & $-224.835\,357$ & & $-208.828\,615$ & & -551.321\,002 \\ MP2 & $-193.471\,695$ & $-663.375$ & $-229.350\,763$ & $-707.450$ & $-225.555\,787$ & $-720.430$ & $-209.524\,337$ & $-695.722$ & -551.982\,490 & -661.488 \\ MP3 & $-193.509\,359$ & $-701.039$ & $-229.371\,133$ & $-727.820$ & $-225.573\,185$ & $-737.829$ & $-209.549\,218$ & $-720.603$ & -552.010\,436 & -689.433 \\ MP4 & $-193.542\,805$ & $-734.485$ & $-229.409\,940$ & $-766.628$ & $-225.612\,580$ & $-777.224$ & $-209.585\,074$ & $-756.459$ & -552.047\,579 & -726.576 \\ CC2 & $-193.478\,188$ & $-669.868$ & $-229.360\,496$ & $-717.183$ & $-225.564\,373$ & $-729.016$ & $-209.531\,147$ & $-702.532$ & -551.990\,538 & -669.536 \\ CC3 & $-193.544\,894$ & $-736.574$ & $-229.409\,043$ & $-765.730$ & $-225.611\,468$ & $-776.112$ & $-209.584\,885$ & $-756.271$ & -552.047\,271 & -726.268 \\ CC4 & $-193.546\,686$ & $-738.367$ & $-229.410\,179$ & $-766.866$ & $-225.612\,561$ & $-777.204$ & $-209.586\,191$ & $-757.576$ & -552.048\,665 & -727.663 \\ CCSD & $-193.515\,557$ & $-707.238$ & $-229.378\,285$ & $-734.973$ & $-225.579\,556$ & $-744.199$ & $-209.554\,328$ & $-725.713$ & -552.015\,458 & -694.455 \\ CCSDT & $-193.544\,566$ & $-736.247$ & $-229.407\,645$ & $-764.332$ & $-225.609\,908$ & $-774.551$ & $-209.583\,798$ & $-755.184$ & -552.046\,137 & -725.135 \\ CCSDTQ & & & $-229.409\,967$ & $-766.654$ & & & & & & \\ \end{tabular} \end{ruledtabular} \end{table*} \end{squeezetable} \section{Conclusion} \begin{acknowledgements} This work was performed using HPC resources from GENCI-TGCC (2020-gen1738) and from CALMIP (Toulouse) under allocation 2020-18005. 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). \end{acknowledgements} \section*{Data availability statement} 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}. \bibliography{Ec} \end{document}