PTEROSOR_git_template/Manuscript/my_article.tex

151 lines
5.4 KiB
TeX
Raw Permalink Normal View History

2021-11-05 09:49:05 +01:00
\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}
2021-11-05 09:53:38 +01:00
\alert{Here comes the abstract.}
2021-11-05 09:49:05 +01:00
%
%\bigskip
%\begin{center}
% \boxed{\includegraphics[width=0.4\linewidth]{TOC}}
%\end{center}
%\bigskip
\end{abstract}
% Title
\maketitle
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\section{Introduction}
\label{sec:intro}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
2021-11-05 09:53:38 +01:00
\alert{Here comes the intro.}
2021-11-05 09:49:05 +01:00
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\section{Computational details}
\label{sec:compdet}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
We use {\QP}. \cite{Garniron_2019}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\section{Results and discussion}
\label{sec:res}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
2021-11-05 09:53:38 +01:00
%%% 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}
%%% %%% %%%
2021-11-05 09:49:05 +01:00
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\section{Conclusion}
\label{sec:ccl}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
2021-11-05 09:53:38 +01:00
\alert{Here comes the conclusion.}
2021-11-05 09:49:05 +01:00
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\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}