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..748ba70 --- /dev/null +++ b/Cover_Letter/CoverLetter.tex @@ -0,0 +1,43 @@ +\documentclass[10pt]{letter} +\usepackage{UPS_letterhead,xcolor,mhchem,mathpazo,ragged2e} +\newcommand{\alert}[1]{\textcolor{red}{#1}} +\definecolor{darkgreen}{HTML}{009900} + + +\begin{document} + +\begin{letter}% +{To the Editors of the Journal of Chemical Physics} + +\opening{Dear Editors,} + +\justifying +Please find enclosed our manuscript entitled +\begin{quote} +\textit{``Weight-dependent local density-functional approximations for ensembles''}, +\end{quote} +which we would like you to consider as a Regular Article in the \textit{Journal of Chemical Physics}. +This contribution fits nicely in the section \textit{``Theoretical Methods and Algorithms''}. +This contribution has never been submitted in total nor in parts to any other journal, and has been seen and approved by all authors. + +To the best of our knowledge, the present article reports, for the first time, a local \textit{weight-dependent} correlation density-functional approximation that incorporate information about both ground and excited states in the context of density-functional theory for ensembles (eDFT). +This density-functional approximation for ensembles is specially designed for the computation of single and double excitations within Gross-Oliveira-Kohn (GOK) DFT (i.e., eDFT for excited states), and can be seen as a natural extension of the ubiquitous local-density approximation in the case of ensembles. +We show that the present weight-dependent correlation functional delivers accurate excitation energies for both single and double excitations in one-dimensional non-homogeneous many-electron systems. +Comparison with TD-DFT shows that the present methodology is not only robust in the weakly-correlated regime, but also in presence of strong correlation where TD-DFT fails. +Although the present weight-dependent functional has been specifically designed for one-dimensional systems, the methodology proposed here is directly applicable to the construction of weight-dependent functionals for realistic three-dimensional systems, such as molecules and solids. + +Because of the large impact of our work in the DFT community and beyond, we expect it to be of interest to a wide audience within the chemistry and physics communities. +We suggest Tim Gould, Julien Toulouse, Evert Baerends, Paola Gori-Giorgi, and Aurora Pribram-Jones as potential referees. +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 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