GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems
Straatsma, T P, Broer, R, Faraji, S, Havenith, R W A, Suarez, L E Aguilar, Kathir, R K, Wibowo, M, de Graaf, C
Published in The Journal of chemical physics (14.02.2020)
Published in The Journal of chemical physics (14.02.2020)
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