Cover Letter
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\documentclass[10pt]{letter}
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\usepackage{UPS_letterhead,color}
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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 Chemical Physics, Special Topic on Frontiers of Stochastic Electronic Structure Calculations (K. Jordan, M. Morales, L. Shulenburger and L.
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Wagner)}
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\opening{Dear Editors,}
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Please find attached a manuscript entitled
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``Taming the fixed-node error in diffusion Monte Carlo via range separation'', which
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we would like to submit as an invited article in the \textit{Journal of Chemical Physics} for the JCP Special Topic on Frontiers of Stochastic Electronic Structure Calculations.
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In this manuscript, we combine range-separated density functional theory (RS-DFT) and
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selected configuration interaction using the CIPSI algorithm to build
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multi-determinant trial wave functions for diffusion Monte Carlo calculations.
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Compared to conventional CIPSI wave functions, we are able to reduce by several
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orders of magnitude the number of determinants of the CI expansion, and we can
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obtain fixed-node DMC energies lower than the DMC energy obtained with the full
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CI trial wave function within the same basis set. Benchmarks calculations have shown
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that the proposed scheme can provide a mean absolute error of 2~kcal/mol on the
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atomization energies of the 55 molecules of the Gaussian-1 set with a
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reproducible protocol.
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Because of the large potential impact of our work, we expect it to be of great
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interest to a wide audience within the electronic structure community.
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We suggest Lubos Mitas, Andrea Zen, Seiichiro Ten-no, Michele Casula, Matus
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Dubecky, Manolo Per, Sandeep Sharma, and Eric Neuscamman as potential referees.
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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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%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 {Anthony Scemama}
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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 {scemama@irsamc.ups-tlse.fr}
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\def\TEL {+33 5 61 55 60 65}
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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=1in]{CNRS_logo.pdf} \hspace*{\fill}\includegraphics[height=1in]{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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