Techniques for high-performance construction of Fock matrices-Reference-Cited by-同舟云学术

Techniques for high-performance construction of Fock matrices

Published:2020-01-14 Issue:2 Volume:152 Page:024122
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Huang Hua¹,Sherrill C. David²^ORCID,Chow Edmond¹^ORCID

Affiliation:

1. School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-4017, USA

2. School of Chemistry and Biochemistry and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA

Funder

National Science Foundation

Intel Corporation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5129452

Reference51 articles.

1. Applications of the CRAY-1 for quantum chemistry calculations

2. Efficient computation of two-electron - repulsion integrals and their nth-order derivatives using contracted Gaussian basis sets

3. Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization

4. Two-electron integral evaluation on the graphics processor unit

5. Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation

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