NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. Van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong

Journal: Computer Physics Communications

Publisher: Elsevier BV

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