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

194

4 6 7 42 92 101 108 112 122 130 138 141 144 146 148 161 169 173 177 181 184 188 194

Users By Organization Type
Type Users
Unidentified 169 (87.11%)
Educational - University 23 (11.86%)
Educational - Pre-College 1 (0.52%)
Industry 1 (0.52%)
Users by Country of Residence
Country Users
us UNITED STATES 14 (56%)
in INDIA 3 (12%)
es SPAIN 2 (8%)
id INDONESIA 2 (8%)
fi FINLAND 1 (4%)
au AUSTRALIA 1 (4%)
ru RUSSIAN FEDERATION 1 (4%)
cn CHINA 1 (4%)

Simulation Runs

746

20 36 52 162 335 392 414 435 474 502 528 545 559 571 579 634 666 678 694 704 709 723 746
Overview
Average Total
Wall Clock Time 4.31 hours 76.86 days
CPU time 0.96 seconds 6.81 minutes
Interaction Time 4.48 hours 79.81 days