chemistrykit.quantum#

Particle-in-a-box, the harmonic oscillator and Morse potential, the rigid rotor, and Huckel theory.

History

The foundational breakthroughs behind this subpackage, linked to the implementation.

Breakthroughs in Quantum Chemistry
Examples

Runnable tutorials and the full example gallery.

Examples
API reference

Every public class and function.

chemistrykit.quantum