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MPI/OpenMP Hybrid Parallel Algorithm of Resolution of Identity Second-Order Møller-Plesset Perturbation Calculation

Michio Katouda1, Takahito Nakajima1

  • 1Computational Molecular Science Research Team, RIKEN Advanced Institute for Computational Science , Kobe 657-0047, Japan.

Journal of Chemical Theory and Computation
|November 24, 2015
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