Phenylacetylene trimer; open quantum system HEOM; coherent excitation
Abstract :
[en] Funneling dynamics in conjugated dendrimers has raised great interest in the context of artificial light-harvesting processes. Photoinduced
relaxation has been explored by time-resolved spectroscopy and simulations, mainly by semiclassical approaches or referring to open quantum
systems methods, within the Redfield approximation. Here, we take the benefit of an ab initio investigation of a phenylacetylene trimer,
and in the spirit of a divide-and-conquer approach, we focus on the early dynamics of the hierarchy of interactions. We build a simplified
but realistic model by retaining only bright electronic states and selecting the vibrational domain expected to play the dominant role for
timescales shorter than 500 fs. We specifically analyze the role of the in-plane high-frequency skeletal vibrational modes involving the triple
bonds. Open quantum system non-adiabatic dynamics involving conical intersections is conducted by separating the electronic subsystem
from the high-frequency tuning and coupling vibrational baths. This partition is implemented within a robust non-perturbative and non-
Markovian method, here the hierarchical equations of motion. We will more precisely analyze the coherent preparation of donor states or
of their superposition by short laser pulses with different polarizations. In particular, we extend the π-pulse strategy for the creation of a
superposition to a V-type system. We study the relaxation induced by the high-frequency vibrational collective modes and the transitory
dissymmetry, which results from the creation of a superposition of electronic donor states.
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