diff --git a/Cover_Letter/CNRS_logo.pdf b/Cover_Letter/CNRS_logo.pdf new file mode 100644 index 0000000..954b3f7 Binary files /dev/null and b/Cover_Letter/CNRS_logo.pdf differ diff --git a/Cover_Letter/CoverLetter.tex b/Cover_Letter/CoverLetter.tex new file mode 100644 index 0000000..18183f1 --- /dev/null +++ b/Cover_Letter/CoverLetter.tex @@ -0,0 +1,42 @@ +\documentclass[10pt]{letter} +\usepackage{UPS_letterhead,color,mhchem,mathpazo,ragged2e} +\newcommand{\alert}[1]{\textcolor{red}{#1}} + +\begin{document} + +\begin{letter}% +{To the Editors of the Journal of Physical Chemistry Letters} + +\opening{Dear Editors,} + +\justifying +Please find enclosed our manuscript entitled +\begin{quote} +\textit{``A Density-based Basis Set Correction for Wave function Theory''}, +\end{quote} +which we would like you to consider as a Letter in the \textit{Journal of Physical Chemistry Letters}. +This contribution fits nicely in the section \textit{``Spectroscopy and Photochemistry; General theory''}. + +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. +As proposed by Kutzelnigg more than thirty years ago, one can introduce explicitly the interelectronic distance $r_{12}$ to significantly speed up the convergence. +However, significant computational overheads are introduced by the large auxiliary basis used to resolve three- and four-electron integrals. +In this Letter, we describe a drastically different approach which combines density-functional theory (DFT) and wave function methods. +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. +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. + +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. +We suggest Paola Gori-Giorgi, Tim Gould, David Tew and Seiichiro Ten-no as potential referees. +This contribution has never been submitted in total nor in parts to any other journal, and has been seen and approved by all authors. +We look forward to hearing from you soon. + +\closing{Sincerely, the authors.} + + +\end{letter} +\end{document} + + + + + + diff --git a/Cover_Letter/UPS_letterhead.sty b/Cover_Letter/UPS_letterhead.sty new file mode 100644 index 0000000..2e5f5bb --- /dev/null +++ b/Cover_Letter/UPS_letterhead.sty @@ -0,0 +1,70 @@ +%ANU etterhead Yves +%version 1.0 12/06/08 +%need to be improved + + +\RequirePackage{graphicx} + +%%%%%%%%%%%%%%%%%%%%% DEFINE USER-SPECIFIC MACROS BELOW %%%%%%%%%%%%%%%%%%%%% +\def\Who {Pierre-Fran\c{c}ois Loos} +\def\What {Dr} +\def\Where {Universit\'e Paul Sabatier} +\def\Address {Laboratoire de Chimie et Physique Quantiques} +\def\CityZip {Toulouse, France} +\def\Email {loos@irsamc.ups-tlse.fr} +\def\TEL {+33 5 61 55 73 39} +\def\URL {} % NOTE: use $\sim$ for tilde + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% MARGINS %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +\textwidth 6in +\textheight 9.25in +\oddsidemargin 0.25in +\evensidemargin 0.25in +\topmargin -1.50in +\longindentation 0.50\textwidth +\parindent 5ex + +%%%%%%%%%%%%%%%%%%%%%%%%%%% ADDRESS MACRO BELOW %%%%%%%%%%%%%%%%%%%%%%%%%%%%% + +\address{ + \includegraphics[height=0.7in]{CNRS_logo.pdf} \hspace*{\fill}\includegraphics[height=0.7in]{UPS_logo.pdf} + \\ + \hrulefill + \\ + {\small \What~\Who\hspace*{\fill} Telephone:\ \TEL + \\ + \Where\hspace*{\fill} Email:\ \Email + \\ + \Address\hspace*{\fill} + \\ + \CityZip\hspace*{\fill} \URL} + } + +%%%%%%%%%%%%%%%%%%%%%%%%%%%% OTHER MACROS BELOW %%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%\signature{\What~\Who} + +\def\opening#1{\ifx\@empty\fromaddress + \thispagestyle{firstpage} + \hspace*{\longindendation}\today\par + \else \thispagestyle{empty} + {\centering\fromaddress \vspace{5\parskip} \\ +\today\hspace*{\fill}\par} + \fi + \vspace{3\parskip} + {\raggedright \toname \\ \toaddress \par}\vspace{3\parskip} + \noindent #1\par\raggedright\parindent 5ex\par + } + +%I do not know what does the macro below + +%\long\def\closing#1{\par\nobreak\vspace{\parskip} + %\stopbreaks + %\noindent + %\ifx\@empty\fromaddress\else + %\hspace*{\longindentation}\fi + %\parbox{\indentedwidth}{\raggedright + %\ignorespaces #1\vskip .65in + %\ifx\@empty\fromsig + %\else \fromsig \fi\strut} + %\vspace*{\fill} +% \par} diff --git a/Cover_Letter/UPS_logo.pdf b/Cover_Letter/UPS_logo.pdf new file mode 100644 index 0000000..ca9ecee Binary files /dev/null and b/Cover_Letter/UPS_logo.pdf differ