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"MPI/OpenMP hybrid parallel algorithm for resolution of identity ..."
Michio Katouda, Takahito Nakajima (2017)
- Michio Katouda
, Takahito Nakajima:
MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers. J. Comput. Chem. 38(8): 489-507 (2017)
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