Addressing first derivative discontinuities in orbital-optimised opposite-spin scaled second-order perturbation theory with regularisation
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Feb 26, 2017
- Source ID
- 10.1080/00268976.2017.1284355
Entities
People
- David Stück
- Martin Head-Gordon
- Rostam M. Razban
Organizations
- Army Research Office
- Yusuf Hamied Department of Chemistry