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

105

4 6 7 42 92 101 105

Users By Organization Type
Type Users
Unidentified 87 (82.86%)
Educational - University 18 (17.14%)
Users by Country of Residence
Country Users
us UNITED STATES 12 (66.67%)
es SPAIN 2 (11.11%)
in INDIA 2 (11.11%)
ru RUSSIAN FEDERATION 1 (5.56%)
fi FINLAND 1 (5.56%)

Simulation Runs

407

20 36 52 162 335 392 407
Overview
Average Total
Wall Clock Time 3.97 hours 37.42 days
CPU time 0.95 seconds 3.59 minutes
Interaction Time 4.19 hours 39.43 days