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Massively parallel and linear-scaling algorithm for second-order Møller–Plesset perturbation theory applied to the study of supramolecular wires
Kjærgaard, Thomas, Baudin, Pablo, Bykov, Dmytro, Eriksen, Janus Juul, Ettenhuber, Patrick, Kristensen, Kasper, Larkin, Jeff, Liakh, Dmitry, Pawłowski, Filip, Vose, Aaron, Wang, Yang Min, Jørgensen, PoLanguage:
english
Journal:
Computer Physics Communications
DOI:
10.1016/j.cpc.2016.11.002
Date:
November, 2016
File:
PDF, 1.32 MB
english, 2016