Cover Letter
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Manuscript/Cover_Letter/CNRS_logo.pdf
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Manuscript/Cover_Letter/CNRS_logo.pdf
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Manuscript/Cover_Letter/Cover_Letter.tex
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Manuscript/Cover_Letter/Cover_Letter.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 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 \textit{``Hierarchy Configuration Interaction: Combining Seniority Number and Excitation Degree''},
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which we would like you to consider as a Letter to the \textit{Journal of Physical Chemistry Letters}.
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This contribution nicely fits in the \textit{``Physical Insights into Quantum Phenomena and Function''} subject category.
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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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Several quantum chemistry methodologies, including single- and multi-reference configuration interaction (CI) and coupled cluster,
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rely on an educated truncation of the full Hilbert space, while trying to keep most of its relevant physics.
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From the birth of quantum chemistry and for many decades, most methods have been developed under an \textit{excitation}-based framework,
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which are usually successful in weak-correlation regimes, and, importantly, present favourable (polynomial) computational scaling.
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Over the past ten years, there has been a growing interest in \textit{seniority}-based methods,
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which are more suitable for strong-correlation regimes, even though they display a much steeper (exponential) computational scaling.
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Aiming at recovering the best of both worlds, here we present a novel partitioning of the Hilbert space, \textit{hierarchy} configuration interaction (hCI).
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By benchmarking hCI against its excitation- and seniority-based parents and numerically exact results, for a series of challenging molecular systems,
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and for several relevant properties, we demonstrate its overall superior convergence.
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hCI inherits both the quick recovery of weak correlation and the favourable computational cost from excitation-based CI,
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as well as a better account of strong correlation from seniority-based CI.
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Based on the robust performance and appealing features of hCI, we expect our proposed strategy will both inspire further developments within the electronic structure community
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and foment exploratory applications to chemically relevant systems.
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Because of its novelty and impact, we expect the present study to be of interest to a wide audience within the chemistry and physics communities.
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We suggest A, B, C as potential referees.
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We look forward to hearing from you soon.
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\closing{Sincerely,}
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\end{letter}
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\end{document}
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Manuscript/Cover_Letter/UPS_letterhead.sty
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Manuscript/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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Manuscript/Cover_Letter/UPS_logo.pdf
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Manuscript/Cover_Letter/UPS_logo.pdf
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