fig gaps

Manuscript/BSE_JPCL.tex

@@ -89,7 +89,7 @@
 \newcommand{\EA}{A}
 \newcommand{\HOMO}{\text{HOMO}}
 \newcommand{\LUMO}{\text{LUMO}}
-\newcommand{\Eg}{E_\text{gap}}
+\newcommand{\Eg}{E_\text{g}}
 \newcommand{\EgFun}{\Eg^\text{fund}}
 \newcommand{\EgOpt}{\Eg^\text{opt}}
 \newcommand{\EB}{E_B}
@@ -247,9 +247,16 @@ An important conclusion drawn from these calculations was that the quality of th
 \end{equation}
 with the experimental (photoemission) fundamental gap \cite{Bredas_2014}
 \begin{equation}
-	\EgFun = I - A,
+	\EgFun = I^N - A^N,
 \end{equation}
-where $I = E_0^{N-1} - E_0^N$ and $A = E_0^{N+1} - E_0^N$ are the ionization potential and the electron affinity of the $N$-electron system, $E_s^{N}$ is the total energy of the $s$th excited state of the $N$-electron system, and $E_0^N$ corresponds to the $N$-electron ground-state energy. 
+where $I^N = E_0^{N-1} - E_0^N$ and $A^N = E_0^{N+1} - E_0^N$ are the ionization potential and the electron affinity of the $N$-electron system, $E_s^{N}$ is the total energy of the $s$th excited state of the $N$-electron system, and $E_0^N$ corresponds to the $N$-electron ground-state energy (see Fig.~\ref{fig:gaps}).
+
+\begin{figure*}
+	\includegraphics[width=0.7\linewidth]{gaps}
+	\caption{
+	Optical and fundamental gaps.
+	\label{fig:gaps}}
+\end{figure*} 
 
 Standard $G_0W_0$ calculations starting with Kohn-Sham (KS) eigenstates generated with (semi)local functionals yield much larger HOMO-LUMO gaps than the input KS gap
 \begin{equation}