Publication - Journal Article The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory

https://doi.org/10.1016/j.cpc.2013.11.011
Journal Article
Computer Physics Communications, vol. 185, iss. 3, pp. 1074-1080, 2014
Authors
Upakarasamy Lourderaj, Rui Sun, Swapnil C. Kohale, George L. Barnes, Wibe A. de Jong, Theresa L. Windus, William L. Hase
English