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arXiv:0809.0039

Decoherence of coherent electronic excited state in the reaction center of the photosynthetic purple bacterium Rhodobacter sphaeroides

Xian-Ting Liang, Wei-Min Zhang, Yizhong Zhuo

Published Aug 31, 2008• 0 citations
arXivHTMLPDF

Abstract

In this paper, we present a theoretical description to the quantum coherence and decoherence phenomena of energy transfer in photosynthesis observed in a recent experiment [see Science 316, 1462 (2007)]. As a successive two-color laser pulses with selected frequencies cast on a sample of the photosynthetic purple bacterium Rb. sphaeroides two resonant excitations of electrons in chromophores can be generated. However, this effective two-level subsystem will interact with its protein environment and decoherence is inevitable. We describe this subsystem coupled with its environment as a dynamical spin-boson model. The non-Markovian decoherence dynamics is described using a quasi-adiabatic propagator path integral (QUAPI) approach. With the photon-induced effective time-dependent level splitting energy and level flip coupling coefficient between the two excited states and the environment-induced non-Markovian decoherence dynamics, our theoretical result is in good agreement with the experimental data.

DOI
10.48550/arxiv.0809.0039

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In this paper, we present a theoretical description to the quantum coherence and decoherence phenomena of energy transfer in photosynthesis observed in a recent experiment [see Science 316, 1462 (2007)]. As a successive two-color laser pulses with selected frequencies cast on a sample of the photosynthetic purple bacterium Rb. sphaeroides two resonant excitations of electrons in chromophores can be generated. However, this effective two-level subsystem will interact with its protein environment and decoherence is inevitable. We describe this subsystem coupled with its environment as a dynamical spin-boson model. The non-Markovian decoherence dynamics is described using a quasi-adiabatic propagator path integral (QUAPI) approach. With the photon-induced effective time-dependent level splitting energy and level flip coupling coefficient between the two excited states and the environment-induced non-Markovian decoherence dynamics, our theoretical result is in good agreement with the experimental data.
In this paper, we present a theoretical description to the quantum coherence and decoherence phenomena of energy transfer in photosynthesis observed in a recent experiment [Science 316, 1462 (2007)]. As a successive two-color laser pulses with selected frequencies cast on a sample of the photosynthetic purple bacterium Rb. sphaeroides two resonant excitations of electrons in chromophores can be generated. However, this effective two-level subsystem will interact with its protein environment and decoherence is inevitable. We describe this subsystem coupled with its environment as a dynamical spin-boson model. The non-Markovian decoherence dynamics is described using a quasiadiabatic propagator path integral (QUAPI) approach. With the photon-induced effective time-dependent level splitting energy and level flip coupling coefficient between the two excited states and the environment-induced non-Markovian decoherence dynamics, our theoretical result is in good agreement with the experimental data.
We investigate the quantum coherent dynamics of an externally driven effective two-level system (TLS) subjected to a slow Ohmic environment characteristic of biomolecular protein–solvent reservoirs in photosynthetic light-harvesting complexes. By means of the numerically exact quasi-adiabatic propagator path integral (QUAPI) method we are able to include non-Markovian features of the environment and show the dependence of the quantum coherence on the characteristic bath cut-off frequency ω c as well as on the driving frequency ω l and the field amplitude A . Our calculations extend from the weak-coupling regime to the incoherent strong-coupling regime. In the latter case, we find evidence for a resonant behaviour, beyond the expected behaviour, when the reorganization energy E r coincides with the driving frequency. Moreover, we investigate how the coherent destruction of tunnelling within the TLS is influenced by the non-Markovian environment.
Using the FPF method, we have carried out accurate path integral simulations of the primary charge separation in bacterial photosynthesis. The process is modeled in terms of three coupled electronic states corresponding to the photoexcited special pair, the reduced accessory bacteriochlorophyll and the reduced bacteriopheophytin of the L branch which interact with a dissipative medium of protein and solvent degrees of freedom. We found that a free energy of the reduced bacteriochlorophyll state about 400 cm$\sp{-1}$ lower than that of the excited special pair, which is associated with a two-step electron transfer mechanism, yields state populations in agreement with experimental results on wild-type and modified reaction centers including the observed temperature dependence. The results are found to be rather stable with respect to reasonable changes of the medium spectral density and the specifics of the nonequilibrium configuration of the photoexcited donor state.
Ultrafast spectroscopy experiments show that photosynthetic systems can preserve quantum beats in the process of electronic energy transfer between pigments, even at room temperature. But what does this discovery imply for biology - and for quantum mechanics? This dissertation examines photosynthesis through the tools of quantum information science. We evaluate to what extent photosynthesis can be thought of as a type of quantum technology, and consider how we can apply experimental tools widely used for quantum technologies (state tomography and coherent control) to photosynthesis. Throughout, we use the Fenna-Matthews-Olson (FMO) complex of greens sulfur bacteria as a model photosynthetic pigment-protein complex.In Part I, we evaluate two mechanisms for the possible biological relevance of quantum coherent motion. First, we consider the extent to which dynamics in light-harvesting systems exhibit the quantum speedups characteristic of quantum algorithms and quantum walks. Second, we demonstrate a ratchet effect in electronic energy transfer enabled by partially coherent dynamics. To do so, we build a new model of energy transfer between weakly coupled light-harvesting complexes to understand how electronic coherence arises under natural conditions.In Part II, we present proposals for experimental probes of light harvesting dynamics with ultrafast spectroscopy. We show how the signal from pump-probe spectroscopy can be formally inverted to determine the excited state electronic density matrix. Finally, we examine the feasiblity of coherent control experiments on light-harvesting systems, and provide two realistic targets feasible with present-day technology.
In natural photosynthesis systems, pigment-protein complexes harvest the photon from sunlight with near-unity quantum efficiency. These complexes show incredible properties that cannot be merely extrapolated from knowledge of their composition. Additionally, the environment perturbing the light-harvesting process significantly affects the mechanism of photosynthesis. This research investigates the photosystem II reaction center (PSII RC) from a new perspective which considers the restricted path of the exciton transfer, in the photosynthesis system, as a quantum trajectory picture with the quantum continuous measurement. In this work, the corridor path of exciton transfer dynamics satisfies the equation of motion, as the spin dynamics, which consists of precession, relaxation, and random force rapidly fluctuating spin splitting arising from the bath. Moreover, the width of the corridor is an important factor for restricting path dynamics resulting in the localization and decoherence phenomenon. Our method is to analyze exciton transfer dynamics through paths on the Bloch sphere, in order to investigate the propagating states in accordance with the weight functional which depends on the coupling parameter between the system and environment as the phonon bath. Our results show that the paths outside the width of the corridor have a considerably lower weight functional and decoherence functional than those inside the width. Therefore, the degrees of localization, the weight functional, and the decoherence functional are related. Furthermore, the simulation reveals three characteristics of exciton transfer: gradual transfer, no transfer, and rapid transfer, relying significantly on the coupling between the system and phonons.
In this paper, a new analytical approach for the dynamics of excitation energy transfer and quantum entanglement in a photosynthetic dimer system is presented. In this approach, the protein environment is investigated as a phonon bath and the coherent representation is investigated to display of their states. The exact analytical expressions for the population of two pigments and their quantum entanglement is obtained. It is shown that numerical results have a good matching with the experimental results for both limits of weak and strong electronic coupling at cryogenic and physiological temperatures.