What Levels of Coupled Cluster Theory Are Appropriate for Transition Metal Systems? A Study Using Near-Exact Quantum Chemical Values for 3d Transition Metal Binary Compounds
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Aug 29, 2019
- Source ID
- 10.1021/acs.jctc.9b00674
Entities
People
- Daniel S Levine
- Diptarka Hait
- K. Birgitta Whaley
- Martin Head-Gordon
- Norm M Tubman
Organizations
- Air Force Research Laboratory
- Ames Research Center
- Lawrence Berkeley National Laboratory
- Office of Basic Energy Sciences
- Quantum Artificial Intelligence Lab