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Demos

Demos for Chem531: Molecular Quantum Mechanics

The following links are Jupyter notebooks for learning quantum mechanics. By clicking the the Jupyter Notebook links, you will be redirected to an interactive Jupyter notebook, with background computer resources provided by https://chemcompute.org.

These Jupyter notebooks correspond to the tutorials on the Liu Group tutorial website: https://liu-group.github.io/, where the Python code blocks are interactive on the webpage but can be slow to launch due to limited computing resource on mybinder.org.

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Jupyter Notebook

Tutorial 12: Particle in a box

Tutorial

Jupyter Notebook

Tutorial 13: 1D Harmonic Oscillator

Tutorial

Jupyter Notebook

Tutorial 15: Numerov method for solving 1D Particle in a box

Tutorial

Jupyter Notebook

Tutorial 16: Morse Potential and diatomic spectroscopy dataset

Tutorial

Jupyter Notebook

Tutorial 17: 2D Harmonic Oscillator

Tutorial

Jupyter Notebook

Tutorial 19: Numerical solution to Schrödinger equation as a boundary value problem

Tutorial

Jupyter Notebook

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