Abstract
Electronic energy transfer in molecular wires is usually theoretically investigated with a harmonic bath to model the environment. The present study is a continuation of our previous work [A. Sindhu and A. Jain, Chem. Phys. Chem. 23, e2022003 (2022)] on studying the dynamics of molecular wires using surface hopping simulations. We extend our study to a 7-site model Hamiltonian and investigate the effects of an anharmonic bath on coherent energy transfer in molecular wires. We show that oscillatory and coherent population dynamics remain intact even in the presence of the anharmonic bath and further highlight the multiple channels available for energy flow in molecular wires.
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