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Pierre-Francois Loos 2019-04-20 08:19:40 +02:00
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\justifying \justifying
Please find enclosed our manuscript entitled Please find enclosed our manuscript entitled
\begin{quote} \begin{quote}
\textit{``A Density-based Basis-Set Correction for Wave-function Theory''}, \textit{``A Density-Based Basis-Set Correction For Wave-Function Theory''},
\end{quote} \end{quote}
which we would like you to consider as a Letter in the \textit{Journal of Physical Chemistry Letters}. which we would like you to consider as a Letter in the \textit{Journal of Physical Chemistry Letters}.
This contribution fits nicely in the section \textit{``Spectroscopy and Photochemistry; General theory''} {\color{darkgreen}MG: are we sure of the section ?}. This contribution fits nicely in the section \textit{``Spectroscopy and Photochemistry; General theory''}.
One of the most fundamental drawbacks of conventional wave function methods is the slow convergence of energies and properties with respect to the one-electron basis set. One of the most fundamental drawbacks of conventional wave function methods is the slow convergence of energies and properties with respect to the one-electron basis set.
As proposed by Kutzelnigg more than thirty years ago, one can introduce explicitly the interelectronic distance $r_{12}$ to significantly speed up the convergence. As proposed by Kutzelnigg more than thirty years ago, one can introduce explicitly the interelectronic distance $r_{12}$ to significantly speed up the convergence.
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Our results clearly demonstrate that the present basis set correction recovers quintuple-$\zeta$ quality atomization and correlation energies with triple-$\zeta$ basis sets for a much cheaper computational cost compared to explicitly-correlated F12 methods. Our results clearly demonstrate that the present basis set correction recovers quintuple-$\zeta$ quality atomization and correlation energies with triple-$\zeta$ basis sets for a much cheaper computational cost compared to explicitly-correlated F12 methods.
Because of the large impact of our work, we expect it to be of interest to a wide audience within the chemistry community and beyond. Because of the large impact of our work, we expect it to be of interest to a wide audience within the chemistry community and beyond.
We suggest Paola Gori-Giorgi, Tim Gould, David Tew and Seiichiro Ten-no as potential referees. We suggest Paola Gori-Giorgi, Tim Gould, David Tew, Emmanuel Fromager and Seiichiro Ten-no 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. 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 soon. We look forward to hearing from you soon.

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