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Do you have any experience with creating energy level diagrams with TeX as shown below ?

What software/packages would you recommend me ?

I've heard about TikZ, but I don't have any experience with it and I would prefer something easy to handle or more WISIWYG.

I would like to illustrate Hund rules, Zeeman splitting and some related physical effects with option to customize pictures.

Hopefully this isn't too much off-topic question. Cheers.

enter image description here

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Examples for Energy level diagrams Links:

http://hyperphysics.phy-astr.gsu.edu/hbase/atomic/imgato/mulelec2.gif http://mxp.physics.umn.edu/s05/projects/s05rb/images/Image173.gif http://www.webexhibits.org/causesofcolor/images/content/15z.jpg

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    All certainly doable (see for example the modiagram package, which does atomic/molecular orbitals), but 'easy to handle' will depend on your requirements. Perhaps you could illustrate what sort of input you are hoping to use so we can gauge how easy this might be.
    – Joseph Wright
    Jul 16, 2013 at 15:55
  • 1
    It would be nice of you to show us some diagrams you are talking about or at least link us to good Wikipedia pages or other references so that we could at least see what you are talking about. Jul 16, 2013 at 16:09
  • 3
    Have you checked out this example?
    – DocBuckets
    Jul 16, 2013 at 17:02
  • 2
    @DocBuckets: These examples might be even more excessive: texample.net/tikz/examples/fluor-energy-levels texample.net/tikz/examples/hydrogen-splitting Jul 16, 2013 at 19:03
  • 2
    I'm quite certain that something very much like your picture is around here, but I can't seem to find it... Found it! Jul 16, 2013 at 20:01

1 Answer 1

23

Remarks

I implemented the first diagram in TikZ. All the coloring stuff has been outsourced to \tikzset so it is easy to change the style of the drawing.

Implementation

\documentclass[tikz]{standalone}
\usetikzlibrary{shapes.callouts}
\tikzset{
    level/.style = {
        ultra thick,
        blue,
    },
    connect/.style = {
        dashed,
        red
    },
    notice/.style = {
        draw,
        rectangle callout,
        callout relative pointer={#1}
    },
    label/.style = {
        text width=2cm
    }
}
\begin{document}
\begin{tikzpicture}
    % Draw all levels
    \draw[level] (0,0) -- node[above] {4p4d} (2,0);

    \draw[connect] (2,0) -- (3,-2) (2,0) -- (3,3);
    \draw[level] (3,3) -- node[above] {$S=0$} node[below] {(Singlets)} (5,3);
    \draw[level] (3,-2) -- node[above] {$S=1$} node[below] {(Triplets)} (5,-2);

    \draw[connect] (5,3) -- (6,4.5) (5,3) -- (6,3.5) (5,3) -- (6,1.5);
    \draw[connect] (5,-2) -- (6,-0.5) (5,-2) -- (6,-1.5) (5,-2) -- (6,-3.5);
    \draw[level] (6,4.5) -- node[above] {${}^1P$} (8,4.5);
    \draw[level] (6,3.5) -- node[above] {${}^1D$} (8,3.5);
    \draw[level] (6,1.5) -- node[above] {${}^1F$} (8,1.5);
    \draw[level] (6,-0.5) -- node[above] {${}^3P$} (8,-0.5);
    \draw[level] (6,-1.5) -- node[above] {${}^3D$} (8,-1.5);
    \draw[level] (6,-3.5) -- node[above] {${}^3F$} (8,-3.5);

    \draw[connect] (8,4.5) -- (9,4.5) (8,3.5) -- (9,3.5) (8,1.5) -- (9,1.5);
    \draw[level] (9,4.5) -- (11,4.5) node[right] {${}^1P_1$};
    \draw[level] (9,3.5) -- (11,3.5) node[right] {${}^1D_2$};
    \draw[level] (9,1.5) -- (11,1.5) node[right] {${}^1F_3$};

    \draw[connect] (8,-0.5) -- (9,-0.5) (8,-0.5) -- (9,-0.8) (8,-0.5) -- (9,-1)
        (8,-1.5) -- (9,-1.6) (8,-1.5) -- (9,-1.8) (8,-1.5) -- (9,-1.3)
        (8,-3.5) -- (9,-3.8) (8,-3.5) -- (9,-3.6) (8,-3.5) -- (9,-3.1);
    \foreach \i/\j in {2/-0.5, 1/-0.8, 0/-1} {
        \draw[level] (9,\j) -- (11,\j) node[right] {\scriptsize $\i$};
    }
    \node[level,right] at (11.5,-0.8) {${}^3P_{0,1,2}$};
    \foreach \i/\j in {3/-1.3, 2/-1.6, 1/-1.8} {
        \draw[level] (9,\j) -- (11,\j) node[right] {\scriptsize $\i$};
    }
    \node[level,right] at (11.5,-1.6) {${}^3D_{1,2,3}$};
    \foreach \i/\j in {4/-3.1, 3/-3.6, 2/-3.8} {
        \draw[level] (9,\j) -- (11,\j) node[right] {\scriptsize $\i$};
    }
    \node[level,right] at (11.5,-3.6) {${}^3F_{2,3,4}$};

    % Draw labels
    \node[label] at (4,5.5) {Spin-spin interaction};
    \node[label] at (7,5.5) {Orbit-orbit interaction};
    \node[label] at (10,5.5) {Spin-orbit interaction};

    % Draw annotations
    \node[notice={(0.5,0.5)},text width=1.5cm] at (2,-3) {Hunds rule \# 1};
    \node[notice={(0,1)}] at (4,-4) {Why is triplet lower};
    \node[notice={(0.7,0.7)},text width=3cm] at (6,-5) {Why is higher angular momentum state lower energy?};
    \node[notice={(-0.9,0.9)},text width=1.5cm] at (9,-5) {Hunds rule \# 2};
    \node[notice={(-0.2,1.6)},text width=3cm] at (11,-6.5) {Why is low total angular momentum state lower in energy?};
    \node[notice={(-0.5,0.5)},text width=1.5cm] at (12,-5) {Hunds rule \# 3};
\end{tikzpicture}
\end{document}

Output

enter image description here

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  • Wow, it looks pretty cool, thank you very much Jul 16, 2013 at 22:15

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