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

Open source: license | download

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Location of all "Computational Hydrogen" Users Since Its Posting

Simulation Users

19

4 5 6 11 17 19

Users By Organization Type
Type Users
Unidentified 14 (73.68%)
Educational - University 5 (26.32%)
Users by Country of Residence
Country Users
us UNITED STATES 5 (100%)

Simulation Runs

79

19 25 31 49 70 79
Overview
Average Total
Wall Clock Time 2.43 hours 4.26 days
CPU time 1.31 seconds 55.06 seconds
Interaction Time 23.05 minutes 16.13 hours