Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure
Author:
Affiliation:
1. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, USA
Funder
National Science Foundation
U.S. Department of Energy
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/5.0005889
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1. Parallel direct SCF for large-scale calculations
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