MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers
Katouda, Michio, Nakajima, TakahitoVolume:
38
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.24701
Date:
March, 2017
File:
PDF, 1.93 MB
english, 2017