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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Location of all "Computational Hydrogen" Users Since Its Posting

Cumulative Simulation Users

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Overview
Average Total
Wall Clock Time 2.57 hours 26.58 days
CPU time 24.17 seconds 1.66 hours
Interaction Time 37.97 minutes 6.54 days