The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Mar 01, 2014
- Source ID
- 10.1016/j.cpc.2013.11.011
Entities
People
- George L. Barnes
- Rui Sun
- Swapnil C. Kohale
- Theresa L. Windus
- Upakarasamy Lourderaj
- Wibe A de Jong
- William L Hase
Organizations
- Air Force Office of Scientific Research
- National Science Foundation
- Office of Naval Research
- Robert A. Welch Foundation
- United States Department of Energy