diff --git a/Data/F2_GS_VQZ_FC.pdf b/Data/F2_GS_VQZ_FC.pdf index 1a14f25..8259db3 100644 Binary files a/Data/F2_GS_VQZ_FC.pdf and b/Data/F2_GS_VQZ_FC.pdf differ diff --git a/SI/BSE-PES-SI.tex b/SI/BSE-PES-SI.tex index c6e8ceb..add47a5 100644 --- a/SI/BSE-PES-SI.tex +++ b/SI/BSE-PES-SI.tex @@ -202,6 +202,7 @@ Ground-state potential energy surfaces of \ce{H2} around its respective equilibr \includegraphics[width=0.49\linewidth]{../Data/LiH_GS_VQZ_FC} \caption{ Ground-state potential energy surfaces of \ce{LiH} around its respective equilibrium geometry obtained at various levels of theory and basis sets. +FC stands for frozen core. \label{fig:PES-LiH} } \end{figure*} @@ -217,6 +218,7 @@ Ground-state potential energy surfaces of \ce{LiH} around its respective equilib \includegraphics[width=0.49\linewidth]{../Data/LiF_GS_VQZ_FC} \caption{ Ground-state potential energy surfaces of \ce{LiF} around its respective equilibrium geometry obtained at various levels of theory and basis sets. +FC stands for frozen core. \label{fig:PES-LiF} } \end{figure*} @@ -232,6 +234,7 @@ Ground-state potential energy surfaces of \ce{LiF} around its respective equilib \includegraphics[width=0.49\linewidth]{../Data/HCl_GS_VQZ_FC} \caption{ Ground-state potential energy surfaces of \ce{HCl} around its respective equilibrium geometry obtained at various levels of theory and basis sets. +FC stands for frozen core. \label{fig:PES-HCl} } \end{figure*} @@ -247,6 +250,7 @@ Ground-state potential energy surfaces of \ce{HCl} around its respective equilib \includegraphics[width=0.49\linewidth]{../Data/N2_GS_VQZ_FC} \caption{ Ground-state potential energy surfaces of \ce{N2} around its respective equilibrium geometry obtained at various levels of theory and basis sets. +FC stands for frozen core. \label{fig:PES-N2} } \end{figure*} @@ -262,6 +266,7 @@ Ground-state potential energy surfaces of \ce{N2} around its respective equilibr \includegraphics[width=0.49\linewidth]{../Data/CO_GS_VQZ_FC} \caption{ Ground-state potential energy surfaces of \ce{CO} around its respective equilibrium geometry obtained at various levels of theory and basis sets. +FC stands for frozen core. \label{fig:PES-CO} } \end{figure*} @@ -277,6 +282,7 @@ Ground-state potential energy surfaces of \ce{CO} around its respective equilibr \includegraphics[width=0.49\linewidth]{../Data/BF_GS_VQZ_FC} \caption{ Ground-state potential energy surfaces of \ce{BF} around its respective equilibrium geometry obtained at various levels of theory and basis sets. +FC stands for frozen core. \label{fig:PES-BF} } \end{figure*} @@ -292,6 +298,7 @@ Ground-state potential energy surfaces of \ce{BF} around its respective equilibr \includegraphics[width=0.49\linewidth]{../Data/F2_GS_VQZ_FC} \caption{ Ground-state potential energy surfaces of \ce{F2} around its respective equilibrium geometry obtained at various levels of theory and basis sets. +FC stands for frozen core. \label{fig:PES-F2} } \end{figure*}