Analytic Energy Gradients for Variational Two-Electron Reduced-Density Matrix Methods within the Density Fitting Approximation
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Nov 29, 2018
- Source ID
- 10.1021/acs.jctc.8b00973
Entities
People
- Eugene Deprince
- Evgeny Epifanovsky
- Gergely Gidofalvi
- J. Wayne Mullinax
Organizations
- Army Research Office
- Florida State University
- Gonzaga University
- Q-Chem, Inc.