diff --git a/Response_Letter/Response_Letter.tex b/Response_Letter/Response_Letter.tex new file mode 100644 index 0000000..51b5b9a --- /dev/null +++ b/Response_Letter/Response_Letter.tex @@ -0,0 +1,91 @@ +\documentclass[10pt]{letter} +\usepackage{UPS_letterhead,xcolor,mhchem,ragged2e,hyperref} +\newcommand{\alert}[1]{\textcolor{red}{#1}} +\definecolor{darkgreen}{HTML}{009900} + + +\begin{document} + +\begin{letter}% +{To the Editors of the Journal of Computational and Theoretical Chemistry,} + +\opening{Dear Editors,} + +\justifying +Please find attached a revised version of the manuscript entitled +\begin{quote} + \textit{``A similarity renormalization group approach to Green’s function methods''}. +\end{quote} + +We thank the reviewers for their constructive comments. +Our detailed responses to their comments can be found below. +For convenience, changes are highlighted in red in the revised version of the manuscript. + +We look forward to hearing from you. + +\closing{Sincerely, the authors.} + +\newpage + +%%% REVIEWER 1 %%% +\noindent \textbf{\large Authors' answer to Reviewer \#1} + +\begin{itemize} + +\item +{The article of Marie and Loos describes a regularized GW approach inspired by the similarity renormalization group second-order perturbative analysis to the linear GW eigenvalue equations. The article is well-organized and the presentation is clear. I think this article can be accepted as is. Nonetheless, I do have a few minor suggestions.} +\\ +\alert{We thank the reviewer for supporting publication of the present manuscript. +} + +\item +{In Eq. (45), the authors mention a reverse approach where, if I understand correctly, the omega-dependent self-energy is directly modified using the SRG regularizer. How does this approach perform on GW50 and compare to qsGW and SRG-qsGW?} +\\ +\alert{} + +\item +{I am a bit surprised that the SRG-qsGW converges all molecules for s = 1000 but not for s = 5000. The energy cutoff window is very narrow here: 0.032 - 0.014 Ha. Moreover, from Figs. 3, 4, and 6, the IPs are roughly converged in the order of s = 50 to a few 100. I think an analysis of the denominators $\Delta^{\nu}_{pr}$ for the typical molecules would be very informative. In particular, what are the several smallest denominators at the beginning and how do they change along the self-consistency procedure?} +\\ +\alert{} + +\item +{In Eq. (18), I think $H^{\text{od}}$ is generally not a square matrix and it is better to say $H^{\text{od}}(s)^\dagger H^{\text{od}}(s)$ instead of $H^{\text{od}}(s)^2$.} +\\ +\alert{} + +\item +{I think the y axis (counts in each bin) should be presented in Figs. 5 and 7. Or at least the limit of y axis should be fixed for all subplots in Fig. 5 or Fig. 7.} +\\ +\alert{} + +\end{itemize} + +%%% REVIEWER 2 %%% +\noindent \textbf{\large Authors' answer to Reviewer \#2} + +\begin{itemize} + +\item +{This is an excellent manuscript, which I very much enjoyed reading. In particular, it includes a comprehensive overview of the literature in the field, which I find very valuable (ref. 119 should be updated). The final result is an expression with a slighly different regularization as before, but it works well, is well founded, and is easy to implement. I don't see arguments against it.} +\\ +\alert{We thank the reviewer for supporting publication of the present manuscript. +} + +\item +{There are two issues that my be improved: +1) The authors used the "dagger" symbol in eq. (21) and further, although they use real-valued spin-orbitals. In that case, also the matrices W are real. It seems more consistent to either allow for complex-valued spin-orbitals (e.g. in eq. (8)) or only use the matrix transpose.} +\\ +\alert{} + +\item +{2) I find it somewhat disturbing to see positive and negative electron affinities. The authors may wish to comment briefly on the meaning of the sign.} +\\ +\alert{} + +\end{itemize} + +%%% %%% +\noindent \textbf{\large Additional minor changes} + +\end{letter} +\end{document}