From 693758b0f0b9015108aecf2c38a7b2887acffa54 Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Sat, 8 Feb 2020 23:19:35 +0100
Subject: [PATCH] F2 done

---
 BSE-PES.tex       | 6 +++---
 SI/BSE-PES-SI.tex | 2 +-
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/BSE-PES.tex b/BSE-PES.tex
index 92eecf8..833a031 100644
--- a/BSE-PES.tex
+++ b/BSE-PES.tex
@@ -518,7 +518,7 @@ Graphs and tables for additional basis sets can be found in the {\SI}.
 \caption{
 Equilibrium bond length $\Req$ (in bohr) and correlation energy $\Ec$ (in millihartree) for the ground state of diatomic molecules obtained with the cc-pVQZ basis set at various levels of theory. 
 For each system and each method, the correlation energy is computed at its respective equilibrium bond length (\ie, $R = \Req$).
-When irregularities appear in the PES, the values are reported in parenthesis and they have been obtained by fitting a Morse potential to the PES.
+When irregularities appear in the PES, the $\Req$ values are reported in parenthesis and they have been obtained by fitting a Morse potential to the PES.
 The error (in \%) compared to the reference CC3 values are reported in square brackets.
 }
 \label{tab:Req}
@@ -542,8 +542,8 @@ The error (in \%) compared to the reference CC3 values are reported in square br
 					&	$\Ec$	&	57.567[$+42.56\%$]	&	101.092[$+44.47\%$]	&	473.053[$+23.29\%$]	&	xxx.xxx[$+0.00\%$]	&	xxx.xxx[$+0.00\%$]	&	xxx.xxx[$+0.00\%$]	&	xxx.xxx[$+0.00\%$]	&	xxx.xxx[$+0.00\%$]	\\
 	RPAx@HF			&	$\Req$	&	1.394[$-0.57\%$]	&	3.011[$-0.26\%$]	&	2.944[$-0.64\%$]	&	2.391[$-0.50\%$]	&	2.041[$-1.64\%$]	&	2.104[$-1.50\%$]	&	2.366[$-1.00\%$]		&	2.565[$-3.68\%$]			\\
 					&	$\Ec$	&	37.886[$-6.18\%$]	&	65.203[$-6.82\%$]	&	343.604[$-10.45\%$]	&	344.249[$-9.93\%$]	&	427.170[$-13.60\%$]	&	416.315[$-12.83\%$]	&	399.060[$-10.82\%$]	&	586.090[$-12.38\%$]	\\
-	RPA@HF			&	$\Req$	&	1.386[$-1.14\%$]	&	2.994[$-0.83\%$]	&	2.946[$-0.57\%$]	&	2.382[$-0.87\%$]	&	2.042[$-1.59\%$]	&	2.103[$-1.54\%$]	&	2.364[$-1.09\%$]		&	\gb{(2.571)}		\\
-					&	$\Ec$	&	57.332[$+41.98\%$]	&	100.164[$+43.15\%$]	&	465.905[$+21.43\%$]	&	442.675[$+15.83\%$]	&	569.384[$+15.17\%$]	&	555.857[$+16.39\%$]	&	537.685[$+20.16\%$]	&	xxx.xxx[$+0.00\%$]	\\
+	RPA@HF			&	$\Req$	&	1.386[$-1.14\%$]	&	2.994[$-0.83\%$]	&	2.946[$-0.57\%$]	&	2.382[$-0.87\%$]	&	2.042[$-1.59\%$]	&	2.103[$-1.54\%$]	&	2.364[$-1.09\%$]		&	2.573[$-3.38\%$]		\\
+					&	$\Ec$	&	57.332[$+41.98\%$]	&	100.164[$+43.15\%$]	&	465.905[$+21.43\%$]	&	442.675[$+15.83\%$]	&	569.384[$+15.17\%$]	&	555.857[$+16.39\%$]	&	537.685[$+20.16\%$]		&	781.323[$+16.81\%$]	\\
 	\end{tabular}
 	\end{ruledtabular}
 \end{table*}
diff --git a/SI/BSE-PES-SI.tex b/SI/BSE-PES-SI.tex
index a6e0d5c..1e4690e 100644
--- a/SI/BSE-PES-SI.tex
+++ b/SI/BSE-PES-SI.tex
@@ -217,7 +217,7 @@ When irregularities appear in the PES, the values are reported in parenthesis an
 					&	cc-pVQZ		&	1.394	&	3.011		&	2.944		&	2.391		&	2.041		&	2.104		&	2.366		&	2.565	\\
 	RPA@HF			&	cc-pVDZ		&	1.431	&	3.021		&	2.999		&	2.424		&	2.083		&	2.134		&	2.416		&	2.623	\\
 					&	cc-pVTZ		&	1.388	&	2.978		&	2.939		&	2.396		&	2.045		&	2.110		&	2.362		&	2.579	\\
-					&	cc-pVQZ		&	1.386	&	2.994		&	2.946		&	2.382		&	2.042		&	2.103		&	2.364		&\gb{(2.571)}	\\
+					&	cc-pVQZ		&	1.386	&	2.994		&	2.946		&	2.382		&	2.042		&	2.103		&	2.364		&	2.573	\\
 	\end{tabular}
 	\end{ruledtabular}
 \end{table*}