updated manuscript

G09/N2/get_cc.sh

@@ -17,11 +17,12 @@ done
 
 denom=`echo print 5**3 - 4**3 | python`
 num=`echo print ${Ecormol[5]}* 5**3  - ${Ecormol[4]}* 4**3   | python`
-Eccmolextrap=`echo print $num/$denom | python`
-echo $Eccmolextrap
+Ecormolextrap=`echo print $num/$denom | python`
+Etotmolextrap=`echo print ${Ehfmol[5]} + $Ecormolextrap | python`
+echo $Ecormolextrap $Etotmolextrap
 
 #denom=`echo print 5**3 - 4**3 | python`
 #num=`echo print ${Ecorat[5]}* 5**3  - ${Ecorat[4]}* 4**3   | python`
-#Eccatextrap=`echo print $num/$denom | python`
+#Ecoratextrap=`echo print $num/$denom | python`
 #echo $Eccatextrap
 

Manuscript/G2-srDFT.tex

@@ -449,6 +449,17 @@ Therefore, we propose the following valence-only approximations for the compleme
  \label{eq:def_lda_tot}
   \efuncbasispbeval = \int \, \text{d}{\bf r} \,\, \bar{e}_{\text{c,md}}^\text{PBE}(\denval({\bf r}),\nabla \denval({\bf r});\,\murval)
 \end{equation}
+
+\subsection{Generalization for the correction of any model of WFT}
+The theory proposed in \cite{GinPraFerAssSavTou-JCP-18} was derived for a FCI or CIPSI wave function model, and we propose here to generalize the basis-set correction to any wave function model. 
+\subsection{Correcting a general wave function molde $\mathcal{Y}$}
+Consider a general wave function model $\mathcal{Y}$ which provides 
+\begin{itemize}
+ \item a variational energy $E_v$
+ \item a non-variational energy $E_p$
+ \item a variational wave function $\Psi_v$
+ \item a non-variational wave function $\Psi_v$
+\end{itemize}
 %%%%%%%%%%%%%%%%%%%%%%%%
 \section{Results}
 %%%%%%%%%%%%%%%%%%%%%%%%

Manuscript/Makefile

@@ -8,7 +8,7 @@
 # * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * 
 
 # fichier principal
-TEX=G2-srDFT
+TEX=paper_appendix
 
 # compilateur latex
 CC=pdflatex