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Julien Toulouse 2019-07-02 09:43:33 +02:00
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Cover_Letter/CoverLetter.tex
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@ -14,7 +14,7 @@
\justifying
Please find enclosed our manuscript entitled
\begin{quote}
\textit{``Chemically-Accurate Excitation Energies With Small Basis Sets''},
\textit{``Chemically Accurate Excitation Energies With Small Basis Sets''},
\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.
@ -24,7 +24,7 @@ In the present article, we show that, by combining selected configuration intera
This nicely complements our recent investigation on ground-state properties [see Loos et al., J. Phys. Chem. Lett. 10 (2019) 2931] which has evidenced that one recovers quintuple-$\zeta$ quality atomization and correlation energies with triple-$\zeta$ basis sets for a much lower computational cost than F12 methods.
The present density-based correction relies on short-range correlation density functionals (with multideterminant reference) from range-separated density-functional theory to capture the missing part of the short-range correlation effects, a consequence of the incompleteness of the one-electron basis set.
We suggest Sandip Sharma, David Tew, Claudia Filippi, Eric Neuscamman and Emmanuel Fromager as potential referees.
We suggest Sandeep Sharma, David Tew, Claudia Filippi, Eric Neuscamman, and Emmanuel Fromager 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.