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Starting from the many-body Schr\"odinger equation, we derive a new type of Lindblad Master equations describing a cyclic exciton/electron dynamics in the light harvesting complex and the reaction center. These equations resemble the Master…

Chemical Physics · Physics 2020-06-19 Shmuel Gurvitz , Gennady P. Berman , Richard T. Sayre

Coherence-enhanced light harvesting has not been directly observed experimentally, despite theoretical evidence that coherence can significantly enhance light-harvesting performance. The main experimental obstacle has been the difficulty in…

Chemical Physics · Physics 2021-06-30 Stefano Tomasi , Dominic M. Rouse , Erik M. Gauger , Brendon W. Lovett , Ivan Kassal

The initial energy transfer in photosynthesis occurs between the light-harvesting pigments and on ultrafast timescales. We analyze the carotenoid to bacteriochlorophyll energy transfer in LH2 Marichromatium purpuratum as well as in an…

Energy transfer between chromophores in photosynthesis proceeds with near unity quantum efficiency. Understanding the precise mechanisms of these processes is made difficult by the complexity of the electronic structure and interactions…

Chemical Physics · Physics 2015-03-03 Gethin H. Richards , Krystyna E. Wilk , Paul M. G. Curmi , Jeffrey A. Davis

Using the reduced density matrix formalism the exciton scattering in light-harvesting systems of purple bacteria is calculated. The static disorder (fluctuations of the site energies) as well as the dynamic disorder (dissipation) is taken…

Chemical Physics · Physics 2009-11-07 Pavel Herman , Ulrich Kleinekathoefer , Ivan Barvik , Michael Schreiber

The study of energy harvesting in chain-like structures is important due to its relevance to a variety of interesting physical systems. Harvesting is understood as the combination of exciton transport through intra-band exciton relaxation…

Disordered Systems and Neural Networks · Physics 2015-05-13 S. M. Vlaming , V. A. Malyshev , J. Knoester

We explore the electroluminescence efficiency for a quantum mechanical model of a large number of molecular emitters embedded in an optical microcavity. We characterize the circumstances under which a microcavity enhances harvesting of…

Mesoscale and Nanoscale Physics · Physics 2019-09-04 Luis A. Martínez-Martínez , Elad Eizner , Stéphane Kéna-Cohen , Joel Yuen-Zhou

The dynamics of pigment-pigment and pigment-protein interactions in light-harvesting complexes is studied with a novel approach which combines molecular dynamics (MD) simulations with quantum chemistry (QC) calculations. The MD simulations…

Biological Physics · Physics 2009-11-07 Ana Damjanovic , Ioan Kosztin , Klaus Schulten

Time-resolved spectroscopy provides the main tool for analyzing the dynamics of excitonic energy transfer in light-harvesting complexes. To infer time-scales and effective coupling parameters from experimental data requires to develop…

Chemical Physics · Physics 2018-11-28 Tobias Kramer , Mirta Rodriguez , Yaroslav Zelinskyy

Multi-exciton correlations shape the photo-induced response of nanostructured materials, particularly when interactions are enhanced by light confinement. Here multidimensional coherent spectroscopy is used to quantify biexciton and…

Mesoscale and Nanoscale Physics · Physics 2025-07-11 Giuseppe Fumero , Jagannath Paul , Jared K. Wahlstrand , Alan D. Bristow

We describe a method for simulating exciton dynamics in protein-pigment complexes, including effects from charge transfer as well as fluorescence. The method combines the hierarchical equations of motion, which are used to describe quantum…

Chemical Physics · Physics 2022-11-23 Thomas P. Fay , David T. Limmer

We examine computational techniques and methodologies currently in use to explore electronic excitation energy transfer in the context of light-harvesting complexes in photosynthetic antenna systems, and comment on some new insights into…

Chemical Physics · Physics 2012-07-05 Leonardo A. Pachon , Paul Brumer

We present a new methodology to calculate the strong light-matter coupling between photonic modes in microcavities and large molecular aggregates that consist of hundreds of molecular fragments. To this end, we combine our fragment…

Chemical Physics · Physics 2024-07-30 Richard Einsele , Luca Nils Philipp , Roland Mitrić

In this paper we consider dynamics of a molecular system subjected to external pumping by a light source. Within a completely quantum mechanical treatment, we derive a general formula, which enables to asses effects of different light…

Biological Physics · Physics 2012-01-30 Tomas Mancal , Leonas Valkunas

Charge Transfer (CT) has enjoyed continuous interest due to increasing experimental control over molecular structure leading to applications in, for example, photovoltaics and hydrogen production. In this paper, we investigate the effect of…

Chemical Physics · Physics 2022-06-29 Marìck Manrho , Thomas L. C. Jansen , Jasper Knoester

Plexciton is the formation of new hybridized energy states originated from the coupling between plasmon and exciton. To reveal the optical properties of both exciton and plexciton, we develop a classic oscillator model to describe the…

Optics · Physics 2022-07-12 Yuqing Cheng , Mengtao Sun

We investigate exciton transport through one-dimensional molecular aggregates interacting strongly with a cavity mode. Unlike several prior theoretical studies treating the monomers as simple two-level systems, exciton-vibration coupling is…

Mesoscale and Nanoscale Physics · Physics 2019-03-14 Jingyu Liu , Qing Zhao , Ning Wu

A general theory of electronic excitations in aggregates of molecules coupled to intramolecular vibrations and the harmonic environment is developed for simulation of the third-order nonlinear spectroscopy signals. The model is applied in…

Chemical Physics · Physics 2014-01-17 Vytautas Butkus , Leonas Valkunas , Darius Abramavicius

The interplay of migration, recombination, and dissociation of excitons in disordered media is studied theoretically in the low temperature regime. An exact expression for the photoluminescence spectrum is obtained. The theory is applied to…

Condensed Matter · Physics 2009-10-28 M. C. J. M. Vissenberg , M. J. M. de Jong

We investigate theoretically nonequilibrium effects on photoluminescence and gain/absorption spectra of a driven-dissipative exciton-polariton condensate, by employing the combined Hartree-Fock-Bogoliubov theory with the generalized random…

Mesoscale and Nanoscale Physics · Physics 2018-06-05 Ryo Hanai , Peter B. Littlewood , Yoji Ohashi