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

Open source: license | download

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Usage

World usage

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

Simulation Users

89

4 6 7 42 89

Users By Organization Type
Type Users
Unidentified 73 (82.02%)
Educational - University 16 (17.98%)
Users by Country of Residence
Country Users
us UNITED STATES 10 (62.5%)
es SPAIN 2 (12.5%)
in INDIA 2 (12.5%)
fi FINLAND 1 (6.25%)
ru RUSSIAN FEDERATION 1 (6.25%)

Simulation Runs

324

20 36 52 162 324
Overview
Average Total
Wall Clock Time 4.4 hours 32.98 days
CPU time 0.96 seconds 2.87 minutes
Interaction Time 4.32 hours 32.36 days