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.Volume:
152
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5141358
Date:
February, 2020
File:
PDF, 2.18 MB
english, 2020