78 lines
2.2 KiB
TeX
78 lines
2.2 KiB
TeX
\documentclass{standalone}
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\usepackage{amsmath,amssymb,amsfonts,pgfpages,graphicx,subfigure,xcolor,bm,multirow,microtype,wasysym,multimedia,hyperref,tabularx,amscd,pgfgantt,mhchem,physics}
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\usetikzlibrary{shapes.gates.logic.US,trees,positioning,arrows}
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\usepackage{tgchorus}
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\usepackage[T1]{fontenc}
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\begin{document}
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\begin{tikzpicture}
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\begin{scope}[very thick,
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node distance=5cm,on grid,>=stealth',
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block1/.style={rectangle,draw,fill=violet!20},
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block2/.style={rectangle,draw,fill=blue!20},
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comp1/.style={rectangle,draw,fill=purple!40},
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comp2/.style={circle,draw,fill=green!40},
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comp3/.style={rectangle,fill=white!40}]
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\node [block1, text width=7cm, align=center] (KS)
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{\textbf{\LARGE Kohn-Sham DFT}
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$$
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\qty[ -\frac{\nabla^2}{2} + v_\text{ext} + V^{\text{Hxc}} ] \phi_p^{\text{KS}} = \varepsilon^{\text{KS}}_p \phi_p^{\text{KS}}
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$$
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};
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\node [block2, text width=7cm, align=center] (GW) [below=of KS, yshift=2cm]
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{\textbf{\LARGE $GW$ approximation}
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$$
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\varepsilon_p^{GW} = \varepsilon_p^{\text{KS}} +
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\mel{\phi_p^{\text{KS}}}{\Sigma^{GW}(\varepsilon_p^{GW}) - V^{\text{xc}}}{\phi_p^{\text{KS}}}
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$$
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};
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\node [comp1, text width=7cm, align=center] (BSE) [below=of GW, yshift=2cm]
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{\textbf{\LARGE Bethe-Salpeter equation}
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$$
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\begin{pmatrix}
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R & C \\
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-C^* & R^{*}
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\end{pmatrix}
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\begin{matrix}
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X_m \\
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Y_m
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\end{matrix}
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=
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\Omega_{m}
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\begin{pmatrix}
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X_m \\
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Y_m
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\end{pmatrix}
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$$
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};
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\node [comp2, align=center] (phys) [below=of BSE, xshift=-4cm]
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{\LARGE Molecules};
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\node [comp2, align=center] (chem) [below=of BSE, xshift=0cm]
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{\LARGE Materials};
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\node [comp2, align=center] (bio) [below=of BSE, xshift=4cm]
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{\LARGE Clusters};
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\path
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(KS) edge [->,color=black] node [right,black] {Fundamental gap} (GW)
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(GW) edge [->,color=black] node [right,black] {Excitonic effect} (BSE)
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(BSE) edge [->,color=black] node [above,black] {} (phys)
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(BSE) edge [->,color=black] node [above,black] {} (chem)
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(BSE) edge [->,color=black] node [above,black] {} (bio)
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;
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\end{scope}
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\end{tikzpicture}
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\end{document}
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