figure 1 Enzo
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@ -289,7 +289,7 @@ Computational details are reported in Section \ref{sec:compmet} for SCI (Subsect
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Section \ref{sec:res} is devoted to the discussion of our results, first we consider the ground state property studied which is the AB (Subsection \ref{sec:auto}) and then we study the excited states (Subsection \ref{sec:states}) of the CBD molecule for both geometries.
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Section \ref{sec:res} is devoted to the discussion of our results, first we consider the ground state property studied which is the AB (Subsection \ref{sec:auto}) and then we study the excited states (Subsection \ref{sec:states}) of the CBD molecule for both geometries.
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\begin{figure}
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\begin{figure}
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\includegraphics[width=0.6\linewidth]{figure1.pdf}
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\includegraphics[width=0.8\linewidth]{figure1.pdf}
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\caption{Pictorial representation of the ground and excited states of CBD and its properties under investigation.
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\caption{Pictorial representation of the ground and excited states of CBD and its properties under investigation.
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The singlet ground-state (S) and triplet (T) properties are represented in black and red, respectively.}
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The singlet ground-state (S) and triplet (T) properties are represented in black and red, respectively.}
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\label{fig:CBD}
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\label{fig:CBD}
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@ -1,4 +1,4 @@
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This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020) (preloaded format=pdflatex 2020.10.4) 22 MAR 2022 09:53
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This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020) (preloaded format=pdflatex 2020.10.4) 23 MAR 2022 10:45
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Output written on figure1.pdf (1 page, 35294 bytes).
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Output written on figure1.pdf (1 page, 35446 bytes).
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%\draw [very thin,gray] (-3,-3) grid (3,3);
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%\draw [very thin,gray] (-3,-3) grid (3,3);
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%curves%
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%curves%
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\draw[line width=1.5] plot[domain=-1.1*pi:1.1*pi,smooth] (\x,{1.5*cos(\x r)});
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\draw[line width=2.4] plot[domain=-1.1*pi:1.1*pi,smooth] (\x,{1.5*cos(\x r)});
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\node[fill=none, text=black, circle, draw=black,line width=1.5] at (2.5,0) {S};
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\node[fill=none, text=black, circle, draw=black,line width=1.5] at (2.5,0) {S};
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%\draw[line width=1.5,scale=0.7,domain=-3:3, smooth, variable=\x, red] plot ({\x}, {\x*\x +4.3});%
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%\draw[line width=1.5,scale=0.7,domain=-3:3, smooth, variable=\x, red] plot ({\x}, {\x*\x +4.3});%
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\draw[line width=1.5,red] plot[domain=-3.2:3.2,smooth] (\x,{0.65*\x*\x +3.5}) ;
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\draw[line width=2.4,red] plot[domain=-3.2:3.2,smooth] (\x,{0.65*\x*\x +3.5}) ;
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\node[fill=none, text=red, circle, draw=red,line width=1.5] at (2.5,6) {T};
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\node[fill=none, text=red, circle, draw=red,line width=1.5] at (2.5,6) {T};
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\node[fill=white,rotate=0,inner sep=-1.25pt,outer sep=0,anchor=center,text=red] at (2.62,8) {$\approx$};
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\node[fill=white,rotate=0,inner sep=-1.25pt,outer sep=0,anchor=center,text=red] at (2.62,8) {$\approx$};
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%left%
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%left%
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\node[] at (-4.1,-1.5) {$1{}^1$A$_{g}$};
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\node[] at (-4.3,-1.5) {\Large $1{}^1$A$_{g}$};
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\draw[red] (-2.5,9.5) -- (-3.5,9.5);
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\draw[red] (-2.5,9.5) -- (-3.5,9.5);
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\node[red] at (-4.1,9.5) {$1~^3$B$_{1g}$};
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\node[red] at (-4.3,9.5) {\Large $1~^3$B$_{1g}$};
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%right%
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%right%
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\node[] at (4.1,-1.5) {$1{}^1$A$_{g}$};
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\node[] at (4.3,-1.5) {\Large $1{}^1$A$_{g}$};
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\draw[red] (2.5,9.5) -- (3.5,9.5);
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\draw[red] (2.5,9.5) -- (3.5,9.5);
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\node[red] at (4.1,9.5) {$1~^3$B$_{1g}$};
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\node[red] at (4.3,9.5) {\Large $1~^3$B$_{1g}$};
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\node[] at (1.3,1.4) {\Large $1{}^1$B$_{1g}$};
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\node[red] at (1.3,3.5) {\Large $1~^3$A$_{2g}$};
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%geometry%
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%geometry%
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\node[] at (-3,-2.9) {D$_{2h}$};
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\node[] at (-3,-2.9) {\Large D$_{2h}$};
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\node[] at (3,-2.9) {D$_{2h}$};
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\node[] at (3,-2.9) {\Large D$_{2h}$};
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%autoisomerization barrier arrow%
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\node[] at (-2.5,0.3) {\Large AB};
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\end{tikzpicture}
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\end{tikzpicture}
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