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Construction of the Fock Matrix on a Grid-Based Molecular Orbital Basis Using GPGPUs

Sergio A Losilla1, Mark A Watson2, Alán Aspuru-Guzik3

  • 1Department of Chemistry, University of Helsinki , P.O. Box 55, FIN-00014 Helsinki, Finland.

Journal of Chemical Theory and Computation
|November 18, 2015
PubMed

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