cover letter
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Cover_Letter/CNRS_logo.pdf
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Cover_Letter/CNRS_logo.pdf
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Cover_Letter/CoverLetter.tex
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Cover_Letter/CoverLetter.tex
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\documentclass[10pt]{letter}
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\usepackage{UPS_letterhead,color,mhchem,mathpazo,ragged2e}
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\newcommand{\alert}[1]{\textcolor{red}{#1}}
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\begin{document}
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\begin{letter}%
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{To the Editors of the Journal of Physical Chemistry Letters}
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\opening{Dear Editors,}
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\justifying
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Please find enclosed our manuscript entitled
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\begin{quote}
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\textit{``A Density-based Basis Set Correction for Wave function Theory''},
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\end{quote}
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which we would like you to consider as a Letter in the \textit{Journal of Physical Chemistry Letters}.
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This contribution fits nicely in the section \textit{``Spectroscopy and Photochemistry; General theory''}.
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One of the most fundamental drawbacks of conventional wave function methods is the slow convergence of energies and properties with respect to the one-electron basis set.
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As proposed by Kutzelnigg more than thirty years ago, one can introduce explicitly the interelectronic distance $r_{12}$ to significantly speed up the convergence.
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However, significant computational overheads are introduced by the large auxiliary basis used to resolve three- and four-electron integrals.
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In this Letter, we describe a drastically different approach which combines density-functional theory (DFT) and wave function methods.
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The present universal, density-based basis set incompleteness correction, which can be applied to any wave function method, relies on short-range correlation density functionals from range-separated DFT to estimate the basis set incompleteness error.
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Our results clearly demonstrate that the present basis set correction recovers quintuple-$\zeta$ quality atomization and correlation energies with triple-$\zeta$ basis sets for a much cheaper computational cost compared to explicitly-correlated F12 methods.
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Because of the large impact of our work, we expect it to be of interest to a wide audience within the chemistry community and beyond.
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We suggest Paola Gori-Giorgi, Tim Gould, David Tew and Seiichiro Ten-no as potential referees.
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This contribution has never been submitted in total nor in parts to any other journal, and has been seen and approved by all authors.
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We look forward to hearing from you soon.
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\closing{Sincerely, the authors.}
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\end{letter}
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\end{document}
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Cover_Letter/UPS_letterhead.sty
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Cover_Letter/UPS_letterhead.sty
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%ANU etterhead Yves
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%version 1.0 12/06/08
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%need to be improved
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\RequirePackage{graphicx}
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%%%%%%%%%%%%%%%%%%%%% DEFINE USER-SPECIFIC MACROS BELOW %%%%%%%%%%%%%%%%%%%%%
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\def\Who {Pierre-Fran\c{c}ois Loos}
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\def\What {Dr}
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\def\Where {Universit\'e Paul Sabatier}
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\def\Address {Laboratoire de Chimie et Physique Quantiques}
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\def\CityZip {Toulouse, France}
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\def\Email {loos@irsamc.ups-tlse.fr}
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\def\TEL {+33 5 61 55 73 39}
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\def\URL {} % NOTE: use $\sim$ for tilde
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% MARGINS %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\textwidth 6in
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\textheight 9.25in
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\oddsidemargin 0.25in
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\evensidemargin 0.25in
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\topmargin -1.50in
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\longindentation 0.50\textwidth
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\parindent 5ex
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%%%%%%%%%%%%%%%%%%%%%%%%%%% ADDRESS MACRO BELOW %%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\address{
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\includegraphics[height=0.7in]{CNRS_logo.pdf} \hspace*{\fill}\includegraphics[height=0.7in]{UPS_logo.pdf}
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\\
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\hrulefill
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\\
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{\small \What~\Who\hspace*{\fill} Telephone:\ \TEL
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\\
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\Where\hspace*{\fill} Email:\ \Email
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\\
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\Address\hspace*{\fill}
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\\
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\CityZip\hspace*{\fill} \URL}
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}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%% OTHER MACROS BELOW %%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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%\signature{\What~\Who}
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\def\opening#1{\ifx\@empty\fromaddress
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\thispagestyle{firstpage}
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\hspace*{\longindendation}\today\par
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\else \thispagestyle{empty}
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{\centering\fromaddress \vspace{5\parskip} \\
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\today\hspace*{\fill}\par}
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\fi
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\vspace{3\parskip}
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{\raggedright \toname \\ \toaddress \par}\vspace{3\parskip}
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\noindent #1\par\raggedright\parindent 5ex\par
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}
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%I do not know what does the macro below
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%\long\def\closing#1{\par\nobreak\vspace{\parskip}
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%\stopbreaks
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%\noindent
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%\ifx\@empty\fromaddress\else
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%\hspace*{\longindentation}\fi
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%\parbox{\indentedwidth}{\raggedright
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%\ignorespaces #1\vskip .65in
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%\ifx\@empty\fromsig
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%\else \fromsig \fi\strut}
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%\vspace*{\fill}
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% \par}
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