Signature of van der Waals interactions in the cumulant density matrix
Abstract
Here we propose and implement a universal signature of the van der Waals interactions based on the cumulant part of the two-electron reduced density matrix (2-RDM).
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2019
- Source ID
- 10.1039/c9cp03361k
Entities
People
- Alexandra Raeber
- David A Mazziotti
- Kade Head-Marsden
- Olivia Werba
Organizations
- Army Research Office
- Division of Chemistry
- James Franck Institute
- United States Army
- United States Department of Defense
- University of Chicago