Temperature effects on singlet fission dynamics mediated by a conical intersection

• Main Authors: Sun, Kewei, Xu, Quan, Chen, Lipeng, Gelin, Maxim F., Zhao, Yang
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2021
• Subjects: Engineering::Materials; Conical Intersection; Singlet Fission
• Online Access: https://hdl.handle.net/10356/145943
• Institution: Nanyang Technological University

Finite-temperature dynamics of singlet fission in crystalline rubrene is investigated by utilizing the Dirac-Frenkel time-dependent variational method in combination with multiple Davydov D2 trial states. To probe temperature effects on the singlet fission process mediated by a conical intersection,...