SI

Manuscript/SI/G2_srDFT-SI.tex

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+\documentclass[aip,jcp,reprint,onecolumn,noshowkeys]{revtex4-1}
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+\newcommand{\SI}{\textcolor{blue}{supplementary material}}
+
+\newcommand{\QP}{\textsc{quantum package}}
+
+
+\newcommand{\LCPQ}{Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\'e de Toulouse, CNRS, UPS, France}
+\newcommand{\LCT}{Laboratoire de Chimie Th\'eorique, Universit\'e Pierre et Marie Curie, Sorbonne Universit\'e, CNRS, Paris, France}
+
+\begin{document}	
+
+\title{Supplementary Information for ``A Density-Based Basis Set Correction For Wave Function Theory''}
+
+\author{Bath\'elemy Pradines}
+\affiliation{\LCPQ}
+\author{Anthony Scemama}
+\affiliation{\LCPQ}
+\author{Julien Toulouse}
+\affiliation{\LCT}
+\author{Pierre-Fran\c{c}ois Loos}
+\email[Corresponding author: ]{loos@irsamc.ups-tlse.fr}
+\affiliation{\LCPQ}
+\author{Emmanuel Giner}
+\affiliation{\LCT}
+
+\begin{abstract}
+\end{abstract}
+
+\maketitle
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\section{Computational details}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+All the geometries have been extracted from Ref.~\onlinecite{HauJanScu-JCP-2009} and have performed at the B3LYP/6-31G(2df,p) level of theory.
+The CCSD(T) calculations have been performed with Gaussian09 with standard threshold values. \cite{g09}
+Frozen core calculations are defined as such: a \ce{He} core is frozen from \ce{B} to \ce{Mg}, while a \ce{Ne} core is frozen from \ce{Al} to \ce{Xe}.
+RS-DFT calculations are performed with {\QP}. \cite{QP2}
+For the quadrature grid, we employ ... radial and angular points.
+The reference values for the atomization energies are extracted from Ref.~\onlinecite{HauKlo-JCP-12} and corresponds to frozen-core non-relativisticatomization energies obtained at the CCSD(T)(F12)/cc-pVQZ-F12 level of theory corrected for higher-excitation contributions ($E_\text{CCSDT(Q)/cc-pV(D+d)Z} - E_\text{CCSD(T)/cc-pV(D+d)Z}$).
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\section{Computational details}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+
+\bibliography{../G2_srDFT}
+
+\end{document}