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We investigate the time an electronic excitation travels in a supermolecularsetup using a measurement process in an open quantum-system framework. Theapproach is based on the stochastic Schr\"odinger equation and uses aHamiltonian from time-dependent density functional theory (TDDFT). It treatselectronic-structure properties and intermolecular coupling on the level ofTDDFT, while it opens a route to the description of dissipation and relaxationvia a bath operator that couples to the dipole moment of the density. Withinour study, we find that in supermolecular setups small deviations of theelectronic structure from the perfectly resonant case have only minor influenceon the pathways of excitation-energy transfer, thus lead to similar transfertimes. Yet, sizable defects cause notable slowdown of the energy spread.

Measuring excitation-energy transfer with a real-time time-dependent density functional theory approach