Based on the Frenkel-charge transfer (CT) mixing model of singlet fission (SF), we incorporate both the local and nonlocal phonon baths in the Hamiltonian and adopt the algorithm of time-dependent density matrix renormalization group to simulate the fission process in tetracene. The endergonic SF is found to be facilitated by the robust quantum coherence, which concurrently gives rise to a notable quantum beating effect. Controlled by the nonlocal electron-phonon coupling, the density of triplet yield manifests a nonlinear relationship with the singlet density. As a result, the fission rate in tetracene is explicitly obtained, which is in agreement with the experimental measurement.
@article{arxiv.1510.06798,
title = {Coherent dynamics of singlet fission controlled by nonlocal electron-phonon coupling},
author = {Yao Yao},
journal= {arXiv preprint arXiv:1510.06798},
year = {2016}
}