Directory `graphics/pgf/contrib/orbitals`

README.md

orbitals

Atomic subshell / orbital-box diagrams for LaTeX, with automatic electron filling following Hund's rule and the Pauli principle.

Version: 1.0
Date: 2026/05/24
Author: Faris Hameed
email: classsec81@gmail.com
License: LaTeX Project Public License (LPPL) v1.3c
Status: maintained

Description

orbitals draws the familiar "box-and-arrow" notation for atomic subshells (s, p, d, f). You give only the principal quantum number, the subshell letter and the number of electrons; the package fills the boxes automatically (one spin-up arrow per box first, then pairing), reproducing the high-spin free-atom ground state.

It can draw:

a single subshell (\suborbital),
a row of subshells (\electronconfig),
a valence configuration with a noble-gas core (\atomconfig),
an empty transition-series template (\transitionseries).

Every diagram can be scaled and placed inline in running text. Colours, box size, spacing and arrow shape are configurable.

Requirements

LaTeX2ε (kernel 2020-10-01 or newer, for \NewDocumentCommand)
TikZ / pgf
xcolor, graphicx (loaded automatically with TikZ)
mhchem (optional; only for the \chem helper)

Engines: pdfLaTeX, XeLaTeX or LuaLaTeX.

Installation

Copy orbitals.sty to your local texmf tree, e.g.

<TEXMFHOME>/tex/latex/orbitals/orbitals.sty

and refresh the filename database (texhash / mktexlsr) if your tree needs it. For a single document you may simply place orbitals.sty next to the .tex file.

Usage

\usepackage{orbitals}
...
\suborbital{4}{p}{5}
\electronconfig{3d6,4s2,4p0}
\atomconfig[{\textsubscript{18}[Ar]}][1.2]{3d6,4s2,4p0}
\transitionseries{1}

See orbitals-doc.pdf for the full manual.

Files

orbitals.sty – the package
orbitals-doc.tex – manual source
orbitals-doc.pdf – compiled manual
README.md – this file

License

This work may be distributed and/or modified under the conditions of the LaTeX Project Public License, version 1.3c of this license https://www.latex-project.org/lppl.txt

Download the contents of this package in one zip archive (72.5k).

orbitals – Atomic subshell / orbital-box diagrams for LaTeX, with automatic electron filling following Hund's rule and the Pauli principle

orbitals draws the familiar box-and-arrow notation for atomic subshells (s, p, d, f). You give only the principal quantum number, the subshell letter and the number of electrons; the package fills the boxes automatically (one spin-up arrow per box first, then pairing), reproducing the high-spin free-atom ground state.