An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization

This repository was created to provide code and data to support the article "Matrix of Orthogonalised Atomic Orbital Coefficients Representation for Radicals and Ions."

A cube file renderer for the JupyterLab.

Python package for visualizing molecular orbital diagrams

PyMovis: Python package for visualizing molecular orbitals

Blender add-on for visualizations of molecular systems and orbitals.

Real-time 3D browser visualization of quantum field theory — Hydrogen atom formation and H₂ molecular bonding with spacetime curvature