Computational Hydrogen Notebook

By Martin Hunt1; Alejandro Strachan1

1. Network for Computational Nanotechnology

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 1.1 - published on 19 Jun 2017

doi:10.4231/D39P2W73X cite this

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World usage

Location of all "Computational Hydrogen Notebook" Users Since Its Posting

Cumulative Simulation Users

395

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Simulation Runs

1,631

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Overview
Average Total
Wall Clock Time 4.98 hours 188.11 days
CPU time 19.15 seconds 4.82 hours
Interaction Time 4.08 hours 153.86 days