Browsing by Author "Eisfeld, Alexander"
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Absence of Quantum Oscillations and Dependence on Site Energies in Electronic Excitation Transfer in the Fenna–Matthews–Olson Trimer
Ritschel, Gerhard; Roden, Jan; Strunz, Walter T.; Aspuru-Guzik, Alán; Eisfeld, Alexander Jurgen (American Chemical Society, 2011)Energy transfer in the photosynthetic Fenna–Matthews–Olson (FMO) complex of green sulfur bacteria is studied numerically taking all three subunits (monomers) of the FMO trimer and the recently found eighth bacteriochlorophyll ... -
On the Alternatives for Bath Correlators and Spectral Densities from Mixed Quantum-Classical Simulations
Valleau, Stephanie; Eisfeld, Alexander; Aspuru-Guzik, Alan (American Institute of Physics, 2012)We investigate on the procedure of extracting a “spectral density” from mixed QM/MM calculations and employing it in open quantum systems models. In particular, we study the connection between the energy gap correlation ... -
Photonics meets excitonics: natural and artificial molecular aggregates
Saikin, Semion K.; Eisfeld, Alexander; Valleau, Stephanie; Aspuru-Guzik, Alan (Walter de Gruyter GmbH, 2013)Organic molecules store the energy of absorbed light in the form of charge-neutral molecular excitations -- Frenkel excitons. Usually, in amorphous organic materials, excitons are viewed as quasiparticles, localized on ...