Monitoring of singlet fission via two-dimensional photon-echo and transient-absorption spectroscopy : simulations by multiple Davydov trial states

• Main Authors: Sun, Kewei, Huang, Zhongkai, Gelin, Maxim F., Chen, Lipeng, Zhao, Yang
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2020
• Subjects: Engineering::Materials; Excitons; Potential Energy Surfaces
• Online Access: https://hdl.handle.net/10356/142974
• Institution: Nanyang Technological University

Employing the Dirac-Frenkel time dependent variational method, the nonlinear spectra monitoring the singlet fission process mediated by a conical intersection (CI) of the two lowest excited electronic states are investigated for different optical dephasings. The simulated two-dimensional spectra at...