NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations.
Marat ValievEric J. BylaskaNiranjan GovindKarol KowalskiTjerk P. StraatsmaHubertus Johannes Jacobus Van DamD. WangJarek NieplochaEdoardo ApràTheresa L. WindusWibe A. de JongPublished in: Comput. Phys. Commun. (2010)