add TOC

Manuscript/GW-srDFT.tex

@@ -159,10 +159,10 @@
 \affiliation{\IUF}
 
 \begin{abstract}
-%\begin{wrapfigure}[13]{o}[-1.25cm]{0.5\linewidth}
+\begin{wrapfigure}[15]{o}[-1.25cm]{0.5\linewidth}
-%	\centering
+	\centering
-%  \includegraphics[width=\linewidth]{TOC}
+  \includegraphics[width=\linewidth]{TOC}
-%\end{wrapfigure}
+\end{wrapfigure}
 Similar to other electron correlation methods, many-body perturbation theory methods based on Green functions, such as the so-called $GW$ approximation, suffer from the usual slow convergence of energetic properties with respect to the size of the one-electron basis set.
 This displeasing feature is due to lack of explicit electron-electron terms modeling the infamous Kato electron-electron cusp and the correlation Coulomb hole around it.
 Here, we propose a computationally efficient density-based basis set correction based on short-range correlation density functionals which significantly speeds up the convergence of energetics towards the complete basis set limit.
@@ -554,9 +554,9 @@ Note, however, that the formal $\order*{\Nbas^6}$ cost of {\GW} can be significa
 
 %%% FIG 1 %%%
 \begin{figure*}
-	\includegraphics[width=0.45\linewidth]{IP_G0W0HF_H2O}
+	\includegraphics[width=0.45\linewidth]{fig1a}
 	\hspace{1cm}
-	\includegraphics[width=0.45\linewidth]{IP_G0W0PBE0_H2O}
+	\includegraphics[width=0.45\linewidth]{fig1b}
 	\caption{
 	IP (in eV) of the water molecule computed at the {\GOWO} (black circles), {\GOWO}+srLDA (red squares), and {\GOWO}+srPBE (blue diamonds) levels of theory with increasingly large Dunning's basis sets \cite{Dunning_1989} (cc-pVDZ, cc-pVTZ, cc-pVQZ, and cc-pV5Z) with two different starting points: HF (left) and PBE0 (right). 
 	The thick black line represents the CBS value obtained by extrapolation (see text for more details).
@@ -642,42 +642,9 @@ The CCSD(T)/def2-TZVPP and experimental results are reported for comparison purp
 	\fnt[5]{Experimental values are taken from Ref.~\onlinecite{vanSetten_2015} and correspond to vertical ionization energies.}
 \end{table*}
 
-%%% TABLE IV %%%
-%\begin{table*}
-%\caption{
-%EAs (in eV) of the five canonical nucleobases computed at the {\GOWO}@PBE level of theory for various basis sets.
-%The deviation with respect to the {\GOWO}@PBE/def2-TQZVP extrapolated values are reported in square brackets. 
-%The experimental results are reported for comparison purposes.
-%\label{tab:DNA_EA}
-%}
-%	\begin{ruledtabular}
-%		\begin{tabular}{llccccc}
-%									&				&	\mc{5}{c}{EAs of nucleobases (eV)}					\\	
-%														\cline{3-7}										
-%		Method						&	Basis		&	\tabc{Adenine} 	&	\tabc{Cytosine}	&	\tabc{Guanine}		&	\tabc{Thymine}	& \tabc{Uracil}	\\	
-%		\hline
-%		{\GOWO}@PBE\fnm[1]			&	def2-SVP	&	-1.57	&	-1.40	&	-1.88	&	-1.19	&	-1.16	\\
-%		{\GOWO}@PBE+srLDA\fnm[1]	&	def2-SVP	&	-1.27	&	-1.10	&	-1.57	&	-0.89	&	-0.85	\\
-%		{\GOWO}@PBE+srPBE\fnm[1]	&	def2-SVP	&	-1.23	&	-1.07	&	-1.53	&	-0.85	&	-0.81	\\
-%		{\GOWO}@PBE\fnm[2]			&	def2-TZVP	&	-0.82	&	-0.61	&	-1.12	&	-0.39	&	-0.35	\\
-%		{\GOWO}@PBE+srLDA\fnm[1]	&	def2-TZVP	&	-0.66	&	-0.45	&			&	-0.23	&	-0.19	\\
-%		{\GOWO}@PBE+srPBE\fnm[1]	&	def2-TZVP	&	-0.66	&	-0.46	&			&	-0.23	&	-0.19	\\
-%		{\GOWO}@PBE\fnm[2]			&	def2-QZVP	&	-0.47	&	-0.26	&	-0.75	&	-0.06	&	-0.01	\\
-%		{\GOWO}@PBE\fnm[3]			&	def2-TQZVP	&	-0.17	&	+0.03	&	-0.41	&	+0.21	&	+0.28	\\
-%		\hline
-%		Experiment\fnm[5]			&				&	0.54	&			&			&	0.29	&	0.22	\\
-%		\end{tabular}
-%	\end{ruledtabular}
-%	\fnt[1]{This work.}
-%	\fnt[2]{Unpublished data taken from \url{https://gw100.wordpress.com} obtained with MOLGW 2.B.}
-%	\fnt[3]{Extrapolated values obtained from the def2-TZVP and def2-QZVP values.}
-%	\fnt[4]{Reference \onlinecite{Krause_2015}.}
-%	\fnt[5]{Experimental values are taken from Ref.~\onlinecite{vanSetten_2015} and correspond to laser photoelectron spectroscopy values.}
-%\end{table*}
-
 %%% FIG 2 %%%
 \begin{figure*}
-	\includegraphics[width=\linewidth]{DNA_IP}
+	\includegraphics[width=\linewidth]{fig2}
 	\caption{
 	Error (in eV) with respect to the {\GOWO}@PBE/def2-TQZVP extrapolated values for the IPs of the five canonical nucleobases (adenine, cytosine, thymine, guanine, and uracil) computed at the {\GOWO}@PBE level of theory for various basis sets.
 	\label{fig:DNA_IP}