78 lines
2.2 KiB
TeX
78 lines
2.2 KiB
TeX
\documentclass{standalone}
|
|
\usepackage{amsmath,amssymb,amsfonts,pgfpages,graphicx,subfigure,xcolor,bm,multirow,microtype,wasysym,multimedia,hyperref,tabularx,amscd,pgfgantt,mhchem,physics}
|
|
\usetikzlibrary{shapes.gates.logic.US,trees,positioning,arrows}
|
|
|
|
\usepackage{tgchorus}
|
|
\usepackage[T1]{fontenc}
|
|
|
|
\begin{document}
|
|
|
|
\begin{tikzpicture}
|
|
\begin{scope}[very thick,
|
|
node distance=5cm,on grid,>=stealth',
|
|
block1/.style={rectangle,draw,fill=violet!20},
|
|
block2/.style={rectangle,draw,fill=blue!20},
|
|
comp1/.style={rectangle,draw,fill=purple!40},
|
|
comp2/.style={circle,draw,fill=green!40},
|
|
comp3/.style={rectangle,fill=white!40}]
|
|
|
|
\node [block1, text width=7cm, align=center] (KS)
|
|
{\textbf{\LARGE Kohn-Sham DFT}
|
|
$$
|
|
\qty[ -\frac{\nabla^2}{2} + v_\text{ext} + V^{\text{Hxc}} ] \phi_p^{\text{KS}} = \varepsilon^{\text{KS}}_p \phi_p^{\text{KS}}
|
|
$$
|
|
};
|
|
|
|
\node [block2, text width=7cm, align=center] (GW) [below=of KS, yshift=2cm]
|
|
{\textbf{\LARGE $GW$ approximation}
|
|
$$
|
|
\varepsilon_p^{GW} = \varepsilon_p^{\text{KS}} +
|
|
\mel{\phi_p^{\text{KS}}}{\Sigma^{GW}(\varepsilon_p^{GW}) - V^{\text{xc}}}{\phi_p^{\text{KS}}}
|
|
$$
|
|
|
|
};
|
|
|
|
\node [comp1, text width=7cm, align=center] (BSE) [below=of GW, yshift=2cm]
|
|
{\textbf{\LARGE Bethe-Salpeter equation}
|
|
$$
|
|
\begin{pmatrix}
|
|
R & C \\
|
|
-C^* & R^{*}
|
|
\end{pmatrix}
|
|
\begin{pmatrix}
|
|
X_m \\
|
|
Y_m
|
|
\end{pmatrix}
|
|
=
|
|
\Omega_{m}
|
|
\begin{pmatrix}
|
|
X_m \\
|
|
Y_m
|
|
\end{pmatrix}
|
|
$$
|
|
};
|
|
|
|
|
|
% \node [comp2, align=center] (phys) [left=of BSE, xshift=-2cm]
|
|
% {\LARGE Molecules};
|
|
|
|
% \node [comp2, align=center] (chem) [below=of BSE, xshift=0cm]
|
|
% {\LARGE Materials};
|
|
|
|
% \node [comp2, align=center] (bio) [right=of BSE, xshift=2cm]
|
|
% {\LARGE Clusters};
|
|
|
|
\path
|
|
(KS) edge [->,color=black] node [right,black] {\LARGE Fundamental gap} (GW)
|
|
(GW) edge [->,color=black] node [right,black] {\LARGE Excitonic effect} (BSE)
|
|
% (BSE) edge [->,color=black] node [above,black] {} (phys)
|
|
% (BSE) edge [->,color=black] node [above,black] {} (chem)
|
|
% (BSE) edge [->,color=black] node [above,black] {} (bio)
|
|
;
|
|
|
|
|
|
\end{scope}
|
|
\end{tikzpicture}
|
|
|
|
\end{document}
|