Active Spaces and Non-Orthogonal Configuration Interaction Approaches for Investigating Molecules on Metal Surfaces
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Nov 13, 2022
- Source ID
- 10.1021/acs.jctc.2c00740
Entities
People
- Joseph E Subotnik
- Junhan Chen
- Wenjie Dou
Organizations
- Air Force Office of Scientific Research
- Institute of Natural Sciences
- University of Pennsylvania
- Westlake University