This is the same tool as ComputeHydrogen (https://nanohub.org/tools/computehydrogen/) but published as a notebook as an example of how the ComputeHydrogen tool was created.

Solve the ground state for the hydrogen atom computationally using four gaussian functions as the basis set. You can change the width of each gaussian and explore how the description changes. Compare the energy and wave function with the exact solution.

Researchers should cite this work as follows:

• Martin Hunt, Alejandro Strachan (2017), "Computational Hydrogen Notebook," https://nanohub.org/resources/comphydrogennb. (DOI: 10.4231/D39P2W73X).

  BibTex | EndNote

1. ground state
2. hydrogen
3. Jupyter notebooks