Computational Hydrogen

By Martin Hunt1, Alejandro Strachan1

1. Purdue University

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.

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Version 1.0 - published on 09 May 2017

doi:10.4231/D36688K8W cite this

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Abstract

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.

Cite this work

Researchers should cite this work as follows:

  • Martin Hunt; Alejandro Strachan (2017), "Computational Hydrogen," http://nanohub.org/resources/computehydrogen. (DOI: 10.4231/D36688K8W).

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