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Pierre-Francois Loos 2020-02-06 09:43:57 +01:00
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SI/BSE-PES-SI.tex
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@ -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} \includegraphics[width=0.49\linewidth]{../Data/LiH_GS_VQZ_FC}
\caption{ \caption{
Ground-state potential energy surfaces of \ce{LiH} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 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} \label{fig:PES-LiH}
} }
\end{figure*} \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} \includegraphics[width=0.49\linewidth]{../Data/LiF_GS_VQZ_FC}
\caption{ \caption{
Ground-state potential energy surfaces of \ce{LiF} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 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} \label{fig:PES-LiF}
} }
\end{figure*} \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} \includegraphics[width=0.49\linewidth]{../Data/HCl_GS_VQZ_FC}
\caption{ \caption{
Ground-state potential energy surfaces of \ce{HCl} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 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} \label{fig:PES-HCl}
} }
\end{figure*} \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} \includegraphics[width=0.49\linewidth]{../Data/N2_GS_VQZ_FC}
\caption{ \caption{
Ground-state potential energy surfaces of \ce{N2} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 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} \label{fig:PES-N2}
} }
\end{figure*} \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} \includegraphics[width=0.49\linewidth]{../Data/CO_GS_VQZ_FC}
\caption{ \caption{
Ground-state potential energy surfaces of \ce{CO} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 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} \label{fig:PES-CO}
} }
\end{figure*} \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} \includegraphics[width=0.49\linewidth]{../Data/BF_GS_VQZ_FC}
\caption{ \caption{
Ground-state potential energy surfaces of \ce{BF} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 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} \label{fig:PES-BF}
} }
\end{figure*} \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} \includegraphics[width=0.49\linewidth]{../Data/F2_GS_VQZ_FC}
\caption{ \caption{
Ground-state potential energy surfaces of \ce{F2} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 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} \label{fig:PES-F2}
} }
\end{figure*} \end{figure*}