47 lines
2.5 KiB
TeX
47 lines
2.5 KiB
TeX
\documentclass[10pt]{letter}
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\usepackage{UPS_letterhead,xcolor,mhchem,ragged2e,hyperref}
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\usepackage{physics}
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\newcommand{\alert}[1]{\textcolor{red}{#1}}
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\definecolor{darkgreen}{HTML}{009900}
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\begin{document}
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\begin{letter}%
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{To the Editors of the The Journal of Physical Chemistry Letters,}
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\opening{Dear Editors,}
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\justifying
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Please find attached a revised version of the manuscript entitled
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\textit{``Hierarchy Configuration Interaction: Combining Seniority Number and Excitation Degree''}.
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We thank the reviewer for the positive appreciation of our work and the suggestion, which we agree to be pertinent.
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Our detailed response can be found below.
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For convenience, changes are highlighted in red in the revised version of the manuscript.
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We look forward to hearing from you.
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\closing{Sincerely, the authors.}
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\newpage
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%%% REVIEWER 1 %%%
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\noindent \textbf{\large Authors' answer to Reviewer \#1}
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This manuscript is very well presented and pleasant to read. The figures and the extensive supporting information are very much appreciated.
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Strongly correlated electronic systems are difficult to treat in a Slater determinant basis. At equilibrium, ``excitation-based'' CI converges quickly, while at dissociation, (oo-) seniority based CI is better. The authors present a way to combine these ideas in a single hierarchy to try to get the advantages of both, and they do: hCI is better at dissociation than excitation CI, and better at equilibrium than seniority CI. Viewed as CI methods, I agree entirely that hCI is superior as it is much cheaper than seniority CI and scales similar to excitation CI.
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I strongly recommend publication with one minor caveat:
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- The authors cite refs 14-30 which show that seniority zero CI is essentially the same as a mean-field of seniority zero pairs, which has $\order*{N^4}$ cost. I feel this point is rather important as oo-seniority zero CI is itself intractable, and the authors could modify the statement citing refs 14-30.
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The presentation is professional. I have a lot of respect for this group, and I will cite this paper at the next opportunity.
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\alert{We thank the reviewer for the supportive comments.}
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\alert{Concerning the point raised, we have included a sentence on page 1, which reads ``In particular, coupled cluster restricted to paired double excitations, which is the same as the antisymmetric product of 1-reference orbital geminals, provides very similar energies as DOCI, and at a very favourable polynomial cost''.}
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\end{letter}
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\end{document}
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