Parallel scalability of Hartree–Fock calculations
Author:
Affiliation:
1. School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0765, USA
2. Parallel Computing Lab, Intel Corporation, Santa Clara, California 95054-1549, USA
Funder
National Science Foundation (NSF)
Intel Corporation (Intel)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4913961
Reference44 articles.
1. \mathcal{O}(N) methods in electronic structure calculations
2. A New Scalable Parallel Algorithm for Fock Matrix Construction
3. Implementation of a parallel direct SCF algorithm on distributed memory computers
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