Excitation spectra of retinal by multiconfiguration pair-density functional theory
Abstract
Multiconfiguration pair-density functional theory predicts the absorption spectrum of retinal, a molecule for vision, faster and more accurately than CASPT2.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2018
- Source ID
- 10.1039/c7cp07275a
Entities
People
- Donald Truhlar
- Laura Gagliardi
- Sijia S. Dong
Organizations
- Air Force Office of Scientific Research
- United States Army
- University of Minnesota