Hydrogen Orbital Visualization

A Python-based tool for visualizing and analyzing hydrogen atomic orbitals, featuring both analytical and numerical solutions to the radial Schrödinger equation.

Features

• Calculate and visualize hydrogen atomic orbitals for any valid quantum numbers (n, l, m)
• Compare analytical and numerical solutions of the radial Schrödinger equation
• Interactive 3D visualization with adjustable viewing angles
• Generate animations of orbital rotations
• Export orbital data to CSV files
• Support for both probability density and wavefunction visualization

Requirements

numpy
scipy
matplotlib
pandas

Installation

1. Clone the repository:

   git clone https://github.com/yourusername/hydrogen-orbital-viz.git
   cd hydrogen-orbital-viz

2. Create and activate a virtual environment (recommended):

   python -m venv venv
   source venv/bin/activate  # On Windows: venv\Scripts\activate

3. Install dependencies:

   pip install -r requirements.txt

Usage

The main functionality is provided through the HydrogenWavefunction class and helper functions in H_atomic_orbitals.py.

Basic usage example:

from H_atomic_orbitals import create_hydrogen_visualization

# Create interactive visualization for n=3, l=2, m=1 orbital
create_hydrogen_visualization(n=3, l=2, m=1)

# Generate animation
create_hydrogen_visualization(n=3, l=2, m=1, save_animation=True)

Contributing

Contributions are welcome! Please feel free to submit a Pull Request.

License

This project is licensed under the MIT License - see the LICENSE file for details.