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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Usage

World usage

Location of all "Computational Hydrogen" Users Since Its Posting

Cumulative Simulation Users

92

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Users By Organization Type
Type Users
Unidentified 71 (77.17%)
Educational - University 20 (21.74%)
Industry 1 (1.09%)
Users by Country of Residence
Country Users
us UNITED STATES 13 (61.9%)
id INDONESIA 2 (9.52%)
br BRAZIL 1 (4.76%)
cz CZECH REPUBLIC 1 (4.76%)
jp JAPAN 1 (4.76%)
cn CHINA 1 (4.76%)
eg EGYPT 1 (4.76%)
in INDIA 1 (4.76%)

Simulation Runs

347

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Overview
Average Total
Wall Clock Time 2.3 hours 18.52 days
CPU time 25.8 seconds 1.38 hours
Interaction Time 26.51 minutes 3.55 days