\documentclass[aip,jcp,reprint,noshowkeys,superscriptaddress]{revtex4-1} \usepackage{graphicx,dcolumn,bm,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,wrapfig,txfonts} \usepackage[version=4]{mhchem} %\usepackage{natbib} %\bibliographystyle{achemso} \newcommand{\ie}{\textit{i.e.}} \newcommand{\eg}{\textit{e.g.}} \newcommand{\alert}[1]{\textcolor{red}{#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{\SI}{\textcolor{blue}{Supporting Information}} \newcommand{\mc}{\multicolumn} \newcommand{\fnm}{\footnotemark} \newcommand{\fnt}{\footnotetext} \newcommand{\tabc}[1]{\multicolumn{1}{c}{#1}} \newcommand{\QP}{\textsc{quantum package}} \newcommand{\hI}{\Hat{1}} \newcommand{\hH}{\Hat{H}} \newcommand{\EHF}{E_\text{HF}} \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} \title{My Paper} \author{Firstname1 \surname{Surname1}} \email{email1@irsamc.ups-tlse.fr} \affiliation{\LCPQ} \author{Firstname2 \surname{Surname2}} \email{email2@irsamc.ups-tlse.fr} \affiliation{\LCPQ} % Abstract \begin{abstract} \alert{Here comes the abstract.} % %\bigskip %\begin{center} % \boxed{\includegraphics[width=0.4\linewidth]{TOC}} %\end{center} %\bigskip \end{abstract} % Title \maketitle %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Introduction} \label{sec:intro} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \alert{Here comes the intro.} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Computational details} \label{sec:compdet} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% We use {\QP}. \cite{Garniron_2019} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Results and discussion} \label{sec:res} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%% FIG 1 %%% \begin{figure} \includegraphics[width=\linewidth]{fig1} \caption{Here is an example for a figure. \label{fig:myfig}} \end{figure} %%% %%% %%% %%% TABLE I %%% \begin{squeezetable} \begin{table*} \caption{Here is an example for a table \label{tab:mytab}} \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 & $E$& $\Delta E$ & $E$ & $\Delta E$ & $E$ & $\Delta E$ & $E$ & $\Delta E$ & $E$ & $\Delta E$ \\ \hline HF & $-192.8083$ & & $-228.6433$ & & $-224.8354$ & & $-208.8286$ & &$-551.3210$ & \\ \hline MP2 & $-193.4717$ & $-663.4$ & $-229.3508$ & $-707.5$ & $-225.5558$ & $-720.4$ & $-209.5243$ & $-695.7$ & $-551.9825$ & $-661.5$ \\ MP3 & $-193.5094$ & $-701.0$ & $-229.3711$ & $-727.8$ & $-225.5732$ & $-737.8$ & $-209.5492$ & $-720.6$ & $-552.0104$ & $-689.4$ \\ MP4 & $-193.5428$ & $-734.5$ & $-229.4099$ & $-766.6$ & $-225.6126$ & $-777.2$ & $-209.5851$ & $-756.5$ & $-552.0476$ & $-726.6$ \\ MP5 & $-193.5418$ & $-733.4$ & $-229.4032$ & $-759.9$ & $-225.6061$ & $-770.8$ & $-209.5809$ & $-752.3$ & $-552.0426$ & $-721.6$\\ \hline CC2 & $-193.4782$ & $-669.9$ & $-229.3605$ & $-717.2$ & $-225.5644$ & $-729.0$ & $-209.5311$ & $-702.5$ & $-551.9905$ & $-669.5$ \\ CC3 & $-193.5449$ & $-736.6$ & $-229.4090$ & $-765.7$ & $-225.6115$ & $-776.1$ & $-209.5849$ & $-756.3$ & $-552.0473$ & $-726.3$ \\ CC4 & $-193.5467$ & $-738.4$ & $-229.4102$ & $-766.9$ & $-225.6126$ & $-777.2$ & $-209.5862$ & $-757.6$ & $-552.0487$ & $-727.7$ \\ \hline CCSD & $-193.5156$ & $-707.2$ & $-229.3783$ & $-735.0$ & $-225.5796$ & $-744.2$ & $-209.5543$ & $-725.7$ & $-552.0155$ & $-694.5$ \\ CCSDT & $-193.5446$ & $-736.2$ & $-229.4076$ & $-764.3$ & $-225.6099$ & $-774.6$ & $-209.5838$ & $-755.2$ & $-552.0461$ & $-725.1$ \\ CCSDTQ & $-193.5465$ & $-738.2$ & $-229.4100$ & $-766.7$ & $-225.6123$ & $-776.9$ & $-209.5860$ & $-757.4$ & $-552.0485$ & $-727.5$ \\ \hline CCSD(T) & $-193.5439$ & $-735.6$ & $-229.4073$ & $-764.0$ & $-225.6099$ & $-774.5$ & $-209.5836$ & $-754.9$ & $-552.0458$ & $-724.8$ \\ CR-CC(2,3)& $-193.5439$ & $-735.6$ & $-229.4075$ & $-764.2$ & $-225.6098$ & $-774.5$ & $-209.5835$ & $-754.9$ & $-552.0459$ & $-724.9$ \\ \hline FCI & & $-739.2(1)$ & & $-768.2(1)$ & & $-778.2(1)$ & & $-758.5(1)$ & & $-728.9(3)$\\ \end{tabular} \end{ruledtabular} \end{table*} \end{squeezetable} %%% %%% %%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Conclusion} \label{sec:ccl} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \alert{Here comes the conclusion.} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \begin{acknowledgements} This project has 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*{Supporting information available} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %\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{my_article} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \end{document}