Computational Helium

By Alejandro Strachan1

1. Purdue University

This notebook solves the ground state for the helium atom computationally within the mean field approximation using four Gaussian functions as the basis set.

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Version 1.0 - published on 07 Jul 2017

doi:10.4231/D32R3NZ97 cite this

Open source: license | download

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Location of all "Computational Helium" Users Since Its Posting

Simulation Users

39

6 8 14 38 39

Users By Organization Type
Type Users
Unidentified 32 (82.05%)
Educational - University 7 (17.95%)
Users by Country of Residence
Country Users
us UNITED STATES 5 (71.43%)
ru RUSSIAN FEDERATION 1 (14.29%)
in INDIA 1 (14.29%)

Simulation Runs

123

12 16 38 115 123
Overview
Average Total
Wall Clock Time 3.5 hours 9.48 days
CPU time 1.16 seconds 1.26 minutes
Interaction Time 1.29 hours 3.49 days