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

71

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Users By Organization Type
Type Users
Unidentified 54 (76.06%)
Educational - University 16 (22.54%)
Industry 1 (1.41%)
Users by Country of Residence
Country Users
us UNITED STATES 10 (58.82%)
br BRAZIL 1 (5.88%)
cz CZECH REPUBLIC 1 (5.88%)
id INDONESIA 1 (5.88%)
jp JAPAN 1 (5.88%)
cn CHINA 1 (5.88%)
eg EGYPT 1 (5.88%)
in INDIA 1 (5.88%)

Simulation Runs

291

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Overview
Average Total
Wall Clock Time 2.53 hours 17.2 days
CPU time 27.11 seconds 1.23 hours
Interaction Time 20.48 minutes 2.32 days