diff --git a/Manuscript/SRGGW.tex b/Manuscript/SRGGW.tex index 46c77b5..f019d5b 100644 --- a/Manuscript/SRGGW.tex +++ b/Manuscript/SRGGW.tex @@ -207,7 +207,7 @@ with \end{subequations} and where \begin{equation} - \braket{pq}{rs} = \iint \frac{\SO{p}(\bx_1) \SO{q}(\bx_2)\SO{r}(\bx_1) \SO{s}(\bx_2) }{\abs{\br_1 - \br_2}} d\bx_1 d\bx_2 + \braket{pq}{rs} = \iint \frac{\textcolor{red}{\SO{p}^*(\bx_1) \SO{q}^*(\bx_2)}\SO{r}(\bx_1) \SO{s}(\bx_2) }{\abs{\br_1 - \br_2}} d\bx_1 d\bx_2 \end{equation} are bare two-electron integrals in the spin-orbital basis. @@ -312,7 +312,7 @@ In this work, we consider Wegner's canonical generator \cite{Wegner_1994} which satisfies the following condition \cite{Kehrein_2006} \begin{equation} \label{eq:derivative_trace} - \dv{s}\text{Tr}\left[ \bH^\text{od}(s)^2 \right] \leq 0. + \textcolor{red}{\dv{s}\text{Tr}\left[ \bH^\text{od}(s)^\dagger \bH^\text{od}(s) \right] \leq 0.} \end{equation} This implies that the matrix elements of the off-diagonal part decrease in a monotonic way throughout the transformation. Moreover, the coupling coefficients associated with the highest-energy determinants are removed first as we shall evidence in the perturbative analysis below. diff --git a/Response_Letter/Response_Letter.tex b/Response_Letter/Response_Letter.tex index 51b5b9a..b3547ad 100644 --- a/Response_Letter/Response_Letter.tex +++ b/Response_Letter/Response_Letter.tex @@ -51,7 +51,7 @@ We look forward to hearing from you. \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{} +\alert{Indeed, the expression suggested by the reviewer would be more precise and the corresponding expression in the manuscript has been updated.} \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.} @@ -73,19 +73,27 @@ We look forward to hearing from you. \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{} +\alert{Indeed, this is not consistent so we changed the definition in Eq. (8) in order to allow for complex-valued spin-orbitals. We thank the reviewer for pointing this out.} \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{} +\alert{We think that it is already discussed at the very end of Section VI, see the following paragraph:} + + \textcolor{red}{\textit{''Note that a positive EA indicates a bounded anion state, which can be accurately described by the methods considered in this study. However, a negative EA suggests a resonance state, which is beyond the scope of the methods used in this study, including the $\Delta$CCSD(T) reference. As such, it is not advisable to assign a physical interpretation to these values. Nonetheless, it is possible to compare $GW$-based and $\Delta$CCSD(T) values in such cases, provided that the comparison is limited to a given basis set.''}} + \end{itemize} %%% %%% \noindent \textbf{\large Additional minor changes} +\begin{itemize} +\item References suggested by Arn\"o. +\end{itemize} + \end{letter} \end{document}