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Response+some data

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EnzoMonino 2022-06-07 13:33:31 +02:00
parent 87ea0fede9
commit 4c410060d5
3 changed files with 40 additions and 14 deletions
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3
Manuscript/CBD.tex
View File

@ -353,7 +353,8 @@ SF-TD-M11 & $11.03$ & $10.25$ & $11.22$ & $11.12$ \\[0.1cm]
SF-ADC(2)-s & $6.69$ & $6.98$ & $8.63$ & \\ SF-ADC(2)-s & $6.69$ & $6.98$ & $8.63$ & \\
SF-ADC(2)-x & $8.63$ & $8.96$ &$10.37$ & \\ SF-ADC(2)-x & $8.63$ & $8.96$ &$10.37$ & \\
SF-ADC(2.5) & $7.36$ & $7.76$ & $9.11$ & \\ SF-ADC(2.5) & $7.36$ & $7.76$ & $9.11$ & \\
SF-ADC(3) & $8.03$ & $8.54$ & $9.58$ \\[0.1cm] SF-ADC(3) & $8.03$ & $8.54$ & $9.58$ \\
\alert{SF-EOM-CCSD} & \alert{$5.86$} & \alert{$6.27$} & \alert{$7.40$} \\[0.1cm]
CASSCF(4,4) & $6.17$ & $6.59$ & $7.38$ & $7.41$ \\ CASSCF(4,4) & $6.17$ & $6.59$ & $7.38$ & $7.41$ \\
CASPT2(4,4) & $6.56$ & $6.87$ & $7.77$ & $7.93$ \\ CASPT2(4,4) & $6.56$ & $6.87$ & $7.77$ & $7.93$ \\
SC-NEVPT2(4,4) & $7.95$ & $8.31$ & $9.23$ & $9.42$ \\ SC-NEVPT2(4,4) & $7.95$ & $8.31$ & $9.23$ & $9.42$ \\

49
Notebooks/CBD.nb
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@ -10,10 +10,10 @@
NotebookFileLineBreakTest NotebookFileLineBreakTest
NotebookFileLineBreakTest NotebookFileLineBreakTest
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WindowFrame->Normal*) WindowFrame->Normal*)
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2
Response_Letter/Response_Letter.tex
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@ -113,7 +113,7 @@ There could be other interesting differences to discuss.}
\item \item
{The analysis would benefit greatly if the authors provide Head-Gordon's indices, which can be used to compare wave-functions computed by different methods in a meaningful way, as illustrated here:J. Chem. Theo. Comp. 14, 638 (2018). } {The analysis would benefit greatly if the authors provide Head-Gordon's indices, which can be used to compare wave-functions computed by different methods in a meaningful way, as illustrated here:J. Chem. Theo. Comp. 14, 638 (2018). }
\\ \\
\alert{T2: I have to check this paper...} \alert{T2: I have to check this paper... The authors thanks the referee for this valuable comment. Unfortunately, in order to obtain the Head-Gordon's indices for the different spin-flip methods used we would have to do all the calculations or at least for the aug-cc-pVTZ basis which will take too much time and resources. We have mentioned these indices in the text and we will definitely use them in future works.}
\item \item
{CAS-based methods are multi-reference (and also able to treat multi-configutional wfns). {CAS-based methods are multi-reference (and also able to treat multi-configutional wfns).