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In the paper, we considered a molecular structure that consists of amolecular chain and an additional molecule ("donor"/"acceptor") that can inject(or remove) single excitation (vibron, electron, e.t.c.) onto the molecularchain. We assumed that the excitation forms a self-trapped state due to theinteraction with mechanical oscillations of chain structure elements. Weanalyzed the energy spectra of the excitation and showed that its state (whenit migrates to the molecular chain) has the properties of the non-adiabaticpolaron state. The conditions under which the excitation can migrate from onesubsystem to another were considered. It was shown that the presence of a"donor" molecule cannot significantly change the properties of the excitationlocated on the molecular chain. At the same time, the molecular chain canaffect the position of the energy level of the excitation localized on the"donor" subsystem. Indirectly, this can influence the process of excitationmigration from one subsystem to another one. The influence of basic energyparameters of the system and the environment temperature on this process arediscussed. The entire system was assumed to be in thermal equilibrium with theenvironment.

On the influence of the "donor"/"acceptor" presence on the excitation states in molecular chains: non-adiabatic polaron approach