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JPCL template

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Pierre-Francois Loos 2020-04-16 09:35:07 +02:00
parent bb2d0c0be6
commit 3be0a83d1d
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Manuscript/BSE_JPCL.tex
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@ -1,54 +1,187 @@
\documentclass[journal=jacsat,manuscript=article]{achemso}
\newif\ifpreprint
%Preprint/reprint switch
%\preprinttrue % Enable for single column preprint
\preprintfalse % Enable for double column reprint
\ifpreprint
\documentclass[journal=jpclcd,manuscript=letter]{achemso}
\else
\documentclass[journal=jpclcd,manuscript=letter,layout=twocolumn]{achemso}
\fi
\usepackage{chemformula} % Formula subscripts using \ch{}
\usepackage[T1]{fontenc} % Use modern font encodings
\newcommand*\mycommand[1]{\texttt{\emph{#1}}}
\usepackage{amsmath}
\usepackage{newtxtext,newtxmath}
\author{T2}
\altaffiliation{Toulouse}
\email{}
\author{DJ}
\altaffiliation{Nantes}
\author{XB}
\altaffiliation{A shared footnote}
\email{xavier.blase@neel.cnrs.fr}
\affiliation[Unknown University]
{Grenoble}
\usepackage{pifont}
\usepackage{graphicx}
\usepackage{dcolumn}
\usepackage{braket}
\usepackage{multirow}
\usepackage{threeparttable}
\usepackage{xspace}
\usepackage{verbatim}
\usepackage[version=4]{mhchem} % Formula subscripts using \ce{}
\usepackage{comment}
\usepackage{color,soul}
\usepackage{mathtools}
\usepackage[dvipsnames]{xcolor}
\usepackage{xspace}
\usepackage{ifthen}
\usepackage{qcircuit}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%% The document title should be given as usual. Some journals require
%% a running title from the author: this should be supplied as an
%% optional argument to \title.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\title[An \textsf{achemso} demo]
{ Beth-Salpeter perspective }
\usepackage{graphicx,longtable,dcolumn,mhchem}
\usepackage{rotating,color}
\usepackage{lscape}
\usepackage{amsmath}
\usepackage{dsfont}
\usepackage{soul}
\usepackage{physics}
\newcommand{\cmark}{\color{green}{\text{\ding{51}}}}
\newcommand{\xmark}{\color{red}{\text{\ding{55}}}}
\newcommand{\mc}{\multicolumn}
\newcommand{\mr}{\multirow}
\newcommand{\ie}{\textit{i.e.}}
\newcommand{\eg}{\textit{e.g.}}
\newcommand{\ra}{\rightarrow}
\newcommand{\fnm}{\footnotemark}
\newcommand{\fnt}{\footnotetext}
\newcommand{\tabc}[1]{\multicolumn{1}{c}{#1}}
\newcommand{\SI}{\textcolor{blue}{supporting information}}
\newcommand{\QP}{\textsc{quantum package}}
% units
\newcommand{\IneV}[1]{#1 eV}
\newcommand{\InAU}[1]{#1 a.u.}
\newcommand{\InAA}[1]{#1 \AA}
\newcommand{\kcal}{kcal/mol}
% sets
\newcommand{\SetA}{QUEST\#1}
\newcommand{\SetB}{QUEST\#2}
\newcommand{\SetC}{QUEST\#3}
\usepackage[colorlinks = true,
linkcolor = blue,
urlcolor = black,
citecolor = blue,
anchorcolor = black]{hyperref}
\definecolor{goodorange}{RGB}{225,125,0}
\definecolor{goodgreen}{RGB}{5,130,5}
\definecolor{goodred}{RGB}{220,50,25}
\definecolor{goodblue}{RGB}{30,144,255}
\newcommand{\note}[2]{
\ifthenelse{\equal{#1}{F}}{
\colorbox{goodorange}{\textcolor{white}{\footnotesize \fontfamily{phv}\selectfont #1}}
\textcolor{goodorange}{{\footnotesize \fontfamily{phv}\selectfont #2}}\xspace
}{}
\ifthenelse{\equal{#1}{R}}{
\colorbox{goodred}{\textcolor{white}{\footnotesize \fontfamily{phv}\selectfont #1}}
\textcolor{goodred}{{\footnotesize \fontfamily{phv}\selectfont #2}}\xspace
}{}
\ifthenelse{\equal{#1}{N}}{
\colorbox{goodgreen}{\textcolor{white}{\footnotesize \fontfamily{phv}\selectfont #1}}
\textcolor{goodgreen}{{\footnotesize \fontfamily{phv}\selectfont #2}}\xspace
}{}
\ifthenelse{\equal{#1}{M}}{
\colorbox{goodblue}{\textcolor{white}{\footnotesize \fontfamily{phv}\selectfont #1}}
\textcolor{goodblue}{{\footnotesize \fontfamily{phv}\selectfont #2}}\xspace
}{}
}
\usepackage{titlesec}
%\usepackage{footnote}
%
\let\titlefont\undefined
\usepackage[fontsize=11pt]{scrextend}
\captionsetup{font={sf,footnotesize}}
%
\titleformat{\section}
{\normalfont\sffamily\bfseries\color{Blue}}
{\thesection.}{0.25em}{\uppercase}
\titleformat{\subsection}[runin]
{\normalfont\sffamily\bfseries}
{\thesubsection}{0.25em}{}[.\;\;]
\titleformat{\suppinfo}
{\normalfont\sffamily\bfseries}
{\thesubsection}{0.25em}{}
\titlespacing*{\section}{0pt}{0.5\baselineskip}{0.01\baselineskip}
\titlespacing*{\subsection}{0pt}{0.125\baselineskip}{0.01\baselineskip}
\renewcommand{\refname}{\normalfont\sffamily\bfseries\color{Blue}{\normalsize REFERENCES}}
\setlength{\bibsep}{0pt plus 0.3ex}
\author{Xavier Blase}
\email{xavier.blase@neel.cnrs.fr}
\affiliation[NEEL, Grenoble]{Universit\'e Grenoble Alpes, CNRS, Institut NEEL, F-38042 Grenoble, France}
\author{Ivan Duchemin}
\affiliation[CEA, Grenoble]{Universit\'e Grenoble Alpes, CEA, IRIG-MEM-L Sim, 38054 Grenoble, France}
\author{Denis Jacquemin}
\affiliation[CEISAM, Nantes]{Universit\'e de Nantes, CNRS, CEISAM UMR 6230, F-44000 Nantes, France}
\author{Pierre-Fran\c{c}ois Loos}
\email{loos@irsamc.ups-tlse.fr}
\affiliation[LCPQ, Toulouse]{Laboratoire de Chimie et Physique Quantiques, Universit\'e de Toulouse, CNRS, UPS, France}
\let\oldmaketitle\maketitle
\let\maketitle\relax
\title{A Chemist Guide to the Bethe--Salpeter Formalism}
\date{\today}
\begin{tocentry}
\vspace{1cm}
% \includegraphics[width=\textwidth]{TOC}
\end{tocentry}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%% Some journals require a list of abbreviations or keywords to be
%% supplied. These should be set up here, and will be printed after
%% the title and author information, if needed.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\abbreviations{IR,NMR,UV}
\keywords{American Chemical Society, \LaTeX}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%% The manuscript does not need to include \maketitle, which is
%% executed automatically.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{document}
\ifpreprint
\else
\twocolumn[
\begin{@twocolumnfalse}
\fi
\oldmaketitle
%%%%%%%%%%%%%%%%
%%% ABSTRACT %%%
%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{abstract}
Achemso package ... perspective JPCL
Here goes the abstract
\end{abstract}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%% Start the main part of the manuscript here.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\ifpreprint
\else
\end{@twocolumnfalse}
]
\fi
\ifpreprint
\else
\small
\fi
\noindent
%%%%%%%%%%%%%%%%%%%%
%%% INTRODUCTION %%%
%%%%%%%%%%%%%%%%%%%%
In its press release announcing the attribution of the 2013 Nobel prize in Chemistry to Martin Karplus, Michael Levitt and Arieh Warshel, the Royal Swedish Academy of Sciences concluded that ``Today the computer is just as important a tool for chemists as the test tube. Simulations are so realistic that they predict the outcome of traditional experiments." Martin Karplus Nobel lecture moderated this bold statement, introducing his presentation by a 1929 quote from Dirac emphasizing that laws of quantum mechanics are "much too complicated to be soluble", urging the scientist to develop "approximate practical methods." This is where the methodology community stands, attempting to develop robust approximations to study with increasing accuracy the properties of complex systems. The study of charged or neutral electronic excitations in condensed matter systems, from molecules to extended solids, has witnessed the development of a large number of such `àpproximate" methods
@ -114,37 +247,21 @@ XANES,
diabatization and conical intersections \cite{Kaczmarski_2010}
\begin{acknowledgement}
Please use ``The authors thank \ldots'' rather than ``The
authors would like to thank \ldots''.
\end{acknowledgement}
%%%%%%%%%%%%%%%%%%
%%% CONCLUSION %%%
%%%%%%%%%%%%%%%%%%
Here goes the conclusion.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%% The same is true for Supporting Information, which should use the
%% suppinfo environment.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{suppinfo}
%%%%%%%%%%%%%%%%%%%%%%%%
%%% ACKNOWLEDGEMENTS %%%
%%%%%%%%%%%%%%%%%%%%%%%%
DJ acknowledges the \textit{R\'egion des Pays de la Loire} for financial support.
A listing of the contents of each file supplied as Supporting Information
should be included. For instructions on what should be included in the
Supporting Information as well as how to prepare this material for
publications, refer to the journal's Instructions for Authors.
The following files are available free of charge.
\begin{itemize}
\item Filename: brief description
\item Filename: brief description
\end{itemize}
\end{suppinfo}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%% The appropriate \bibliography command should be placed here.
%% Notice that the class file automatically sets \bibliographystyle
%% and also names the section correctly.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%
%%% BIBLIOGRAPHY %%%
%%%%%%%%%%%%%%%%%%%%
\bibliography{xbbib}
\end{document}