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..d96e3fc --- /dev/null +++ b/Cover_Letter/CoverLetter.tex @@ -0,0 +1,46 @@ +\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 Theory and Computation} + +\opening{Dear Editors,} + +\justifying +Please find enclosed our manuscript entitled +\begin{quote} +\textit{``A Density-Based Basis Set Correction for GW Methods''}, +\end{quote} +which we would like you to consider as a Regular Article in the \textit{Journal of Chemical Theory and Computation}. +This contribution nicely fits in the \textit{``Quantum Electronic Structure''} section. + +One of the most fundamental drawbacks of conventional electron correlation methods is the slow convergence of energies and properties with respect to the one-electron basis set. +Similar to other electron correlation methods, many-body perturbation theory methods based on Green functions, such as the so-called $GW$ approximation, suffer from the same pathological slow convergence. +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. +Moreover, to the best of our knowledge, a F12-based correction for $GW$ has not been designed yet. +In this manuscript, we describe a drastically different approach which combines density-functional theory (DFT) and Green function based methods. +The present universal, density-based basis set incompleteness correction relies on short-range correlation density functionals from range-separated DFT to estimate the basis set incompleteness error. +The performance of this density-based correction is illustrated by computing the ionization potentials of molecules of the GW100 test set at the perturbative GW level. +In particular, we evidence that the present basis set correction significantly speeds up the convergence of ionization potentials for small and larger molecules towards the complete basis set limit. + +We suggest Xavier Blase, Lucia Reining, Timothy Berkelbach, Michel van Setten,Patrick Rinke, Valerio Olevano, Seiichiro Ten-no, Wim Klopper, and David Tew 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. + +\closing{Sincerely, the authors.} + + +\end{letter} +\end{document} + + + + + + diff --git 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%\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