CASSCF with Extremely Large Active Spaces Using the Adaptive Sampling Configuration Interaction Method
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Feb 28, 2020
- Source ID
- 10.1021/acs.jctc.9b01255
Entities
People
- Daniel S Levine
- Diptarka Hait
- K. Birgitta Whaley
- Martin Head-Gordon
- Norm M Tubman
- Susi Lehtola
Organizations
- Air Force Research Laboratory
- Lawrence Berkeley National Laboratory
- Office of Basic Energy Sciences
- Quantum Artificial Intelligence Lab
- Research Council of Finland