Tsimech2000/Atomic_Orbitals

Atomic Orbitals Visualizer (Hydrogen-like) — Hugging Face Space (Streamlit)

An interactive 3D visualizer for hydrogen-like atomic orbitals using Streamlit and Plotly. It computes the radial part \(R{n\ell}(r)\) with associated Laguerre polynomials and the angular part with spherical harmonics \(Y\ell^m(\theta,\phi)\), then renders an isosurface of \(|\psi|^2\).

Features

• —Choose quantum numbers \(n, \ell, m\) (with validation)
• —Effective nuclear charge \(Z\) control (hydrogenic approximation)
• —Adjustable 3D grid resolution and radial extent
• —Plotly isosurface rendering of \(|\psi|^2\)
• —Quick central slice preview

Files

• —app.py — Streamlit app
• —requirements.txt — Python dependencies for Hugging Face Spaces
• —README.md — This file

Run locally

pip install -r requirements.txt
streamlit run app.py

Deploy on Hugging Face Spaces (Streamlit)

1. 1.Create a new Space (SDK: Streamlit).
2. 2.Upload app.py, requirements.txt, and README.md.
3. 3.Save — the build should start automatically.

Notes

• —Units default to atomic units (Bohr). The visualization labels axes in Bohr.
• —For best performance, start with modest grid size (e.g., N=45–55). Higher values show more nodes/lobes but take longer.
• —This app displays the complex spherical harmonics; the plotted density is \(|\psi|^2\), which is real and nonnegative.
• —You can treat \(Z\) as an effective nuclear charge to approximate screening for multi-electron atoms.