The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron–Sulfur Cubanes
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 16, 2022
- Source ID
- 10.1021/acs.jctc.1c00830
Entities
People
- Carlos Mejuto-Zaera
- David B Williams-Young
- Demeter Tzeli
- Jiří Brabec
- Libor Veis
- Mikuláš Matoušek
- Norm M Tubman
- Sotiris Xantheas
- Wibe A de Jong
Organizations
- Air Force Research Laboratory
- Czech Science Foundation
- Lawrence Berkeley National Laboratory
- National Aeronautics and Space Administration
- National and Kapodistrian University of Athens
- Office of Basic Energy Sciences
- Pacific Northwest National Laboratory
- Quantum Artificial Intelligence Lab
- University of California, Berkeley
- University of Washington