151 lines
5.4 KiB
TeX
151 lines
5.4 KiB
TeX
\documentclass[aip,jcp,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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%\usepackage{natbib}
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%\bibliographystyle{achemso}
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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{red}{#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{\SI}{\textcolor{blue}{Supporting Information}}
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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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\newcommand{\hI}{\Hat{1}}
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\newcommand{\hH}{\Hat{H}}
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\newcommand{\EHF}{E_\text{HF}}
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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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\title{My Paper}
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\author{Firstname1 \surname{Surname1}}
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\email{email1@irsamc.ups-tlse.fr}
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\affiliation{\LCPQ}
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\author{Firstname2 \surname{Surname2}}
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\email{email2@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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\alert{Here comes the abstract.}
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%
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%\bigskip
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%\begin{center}
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% \boxed{\includegraphics[width=0.4\linewidth]{TOC}}
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%\end{center}
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%\bigskip
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\end{abstract}
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% Title
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\maketitle
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\section{Introduction}
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\label{sec:intro}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\alert{Here comes the intro.}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\section{Computational details}
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\label{sec:compdet}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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We use {\QP}. \cite{Garniron_2019}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\section{Results and discussion}
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\label{sec:res}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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%%% FIG 1 %%%
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\begin{figure}
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\includegraphics[width=\linewidth]{fig1}
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\caption{Here is an example for a figure.
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\label{fig:myfig}}
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\end{figure}
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%%% %%% %%%
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%%% TABLE I %%%
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\begin{squeezetable}
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\begin{table*}
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\caption{Here is an example for a table
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\label{tab:mytab}}
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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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\cline{2-3} \cline{4-5} \cline{6-7} \cline{8-9} \cline{10-11}
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Method & $E$& $\Delta E$ & $E$ & $\Delta E$ & $E$ & $\Delta E$ & $E$ & $\Delta E$ & $E$ & $\Delta E$ \\
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\hline
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HF & $-192.8083$ & & $-228.6433$ & & $-224.8354$ & & $-208.8286$ & &$-551.3210$ & \\
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\hline
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MP2 & $-193.4717$ & $-663.4$ & $-229.3508$ & $-707.5$ & $-225.5558$ & $-720.4$ & $-209.5243$ & $-695.7$ & $-551.9825$ & $-661.5$ \\
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MP3 & $-193.5094$ & $-701.0$ & $-229.3711$ & $-727.8$ & $-225.5732$ & $-737.8$ & $-209.5492$ & $-720.6$ & $-552.0104$ & $-689.4$ \\
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MP4 & $-193.5428$ & $-734.5$ & $-229.4099$ & $-766.6$ & $-225.6126$ & $-777.2$ & $-209.5851$ & $-756.5$ & $-552.0476$ & $-726.6$ \\
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MP5 & $-193.5418$ & $-733.4$ & $-229.4032$ & $-759.9$ & $-225.6061$ & $-770.8$ & $-209.5809$ & $-752.3$ & $-552.0426$ & $-721.6$\\
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\hline
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CC2 & $-193.4782$ & $-669.9$ & $-229.3605$ & $-717.2$ & $-225.5644$ & $-729.0$ & $-209.5311$ & $-702.5$ & $-551.9905$ & $-669.5$ \\
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CC3 & $-193.5449$ & $-736.6$ & $-229.4090$ & $-765.7$ & $-225.6115$ & $-776.1$ & $-209.5849$ & $-756.3$ & $-552.0473$ & $-726.3$ \\
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CC4 & $-193.5467$ & $-738.4$ & $-229.4102$ & $-766.9$ & $-225.6126$ & $-777.2$ & $-209.5862$ & $-757.6$ & $-552.0487$ & $-727.7$ \\
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\hline
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CCSD & $-193.5156$ & $-707.2$ & $-229.3783$ & $-735.0$ & $-225.5796$ & $-744.2$ & $-209.5543$ & $-725.7$ & $-552.0155$ & $-694.5$ \\
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CCSDT & $-193.5446$ & $-736.2$ & $-229.4076$ & $-764.3$ & $-225.6099$ & $-774.6$ & $-209.5838$ & $-755.2$ & $-552.0461$ & $-725.1$ \\
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CCSDTQ & $-193.5465$ & $-738.2$ & $-229.4100$ & $-766.7$ & $-225.6123$ & $-776.9$ & $-209.5860$ & $-757.4$ & $-552.0485$ & $-727.5$ \\
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\hline
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CCSD(T) & $-193.5439$ & $-735.6$ & $-229.4073$ & $-764.0$ & $-225.6099$ & $-774.5$ & $-209.5836$ & $-754.9$ & $-552.0458$ & $-724.8$
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\\
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CR-CC(2,3)& $-193.5439$ & $-735.6$ & $-229.4075$ & $-764.2$ & $-225.6098$ & $-774.5$ & $-209.5835$ & $-754.9$ & $-552.0459$ & $-724.9$
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\\
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\hline
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FCI & & $-739.2(1)$ & & $-768.2(1)$ & & $-778.2(1)$ & & $-758.5(1)$ & & $-728.9(3)$\\
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\end{tabular}
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\end{ruledtabular}
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\end{table*}
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\end{squeezetable}
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%%% %%% %%%
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\section{Conclusion}
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\label{sec:ccl}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\alert{Here comes the conclusion.}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\begin{acknowledgements}
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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).
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\end{acknowledgements}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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%\section*{Supporting information available}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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%\section*{Data availability statement}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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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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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\bibliography{my_article}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\end{document}
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