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How Markovian is exciton dynamics in purple bacteria?

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How Markovian is exciton dynamics in purple bacteria? / Vaughan, Felix; Linden, Noah; Manby, Fred.

In: Journal of Chemical Physics, Vol. 146, No. 12, 124113, 27.03.2017.

Research output: Contribution to journalArticle

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Vaughan, F, Linden, N & Manby, F 2017, 'How Markovian is exciton dynamics in purple bacteria?' Journal of Chemical Physics, vol. 146, no. 12, 124113. https://doi.org/10.1063/1.4978568

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Vaughan F, Linden N, Manby F. How Markovian is exciton dynamics in purple bacteria? Journal of Chemical Physics. 2017 Mar 27;146(12). 124113. https://doi.org/10.1063/1.4978568

Author

Vaughan, Felix ; Linden, Noah ; Manby, Fred. / How Markovian is exciton dynamics in purple bacteria?. In: Journal of Chemical Physics. 2017 ; Vol. 146, No. 12.

Bibtex

@article{889aed16141041308f744baaa32b8c5d,
title = "How Markovian is exciton dynamics in purple bacteria?",
abstract = "We investigate the extent to which the dynamics of excitons in the light-harvesting complex LH2 of purple bacteria can be described using a Markovian approximation. To analyse the degree of non-Markovianity in these systems, we introduce a measure based on fitting Lindblad dynamics, as well as employing a recently introduced trace-distance measure. We apply these measures to achromophore-dimer model of exciton dynamics and use the hierarchical equation-of-motion method to take into account the broad, low-frequency phonon bath. With a smooth phonon bath, small amounts of non-Markovianity are present according to the trace-distance measure, but the dynamics is poorlydescribed by a Lindblad master equation unless the excitonic dimer coupling strength is modified. Inclusion of underdamped, high-frequency modes leads to significant deviations from Markovian evolution in both measures. In particular, we find that modes that are nearly resonant with gaps in the excitonic spectrum produce dynamics that deviate most strongly from the Lindblad approximation,despite the trace distance measuring larger amounts of non-Markovianity for higher frequency modes. Overall we find that the detailed structure in the high-frequency region of the spectral density has a significant impact on the nature of the dynamics of excitons.",
author = "Felix Vaughan and Noah Linden and Fred Manby",
year = "2017",
month = "3",
day = "27",
doi = "10.1063/1.4978568",
language = "English",
volume = "146",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "12",

}

RIS - suitable for import to EndNote

TY - JOUR

T1 - How Markovian is exciton dynamics in purple bacteria?

AU - Vaughan, Felix

AU - Linden, Noah

AU - Manby, Fred

PY - 2017/3/27

Y1 - 2017/3/27

N2 - We investigate the extent to which the dynamics of excitons in the light-harvesting complex LH2 of purple bacteria can be described using a Markovian approximation. To analyse the degree of non-Markovianity in these systems, we introduce a measure based on fitting Lindblad dynamics, as well as employing a recently introduced trace-distance measure. We apply these measures to achromophore-dimer model of exciton dynamics and use the hierarchical equation-of-motion method to take into account the broad, low-frequency phonon bath. With a smooth phonon bath, small amounts of non-Markovianity are present according to the trace-distance measure, but the dynamics is poorlydescribed by a Lindblad master equation unless the excitonic dimer coupling strength is modified. Inclusion of underdamped, high-frequency modes leads to significant deviations from Markovian evolution in both measures. In particular, we find that modes that are nearly resonant with gaps in the excitonic spectrum produce dynamics that deviate most strongly from the Lindblad approximation,despite the trace distance measuring larger amounts of non-Markovianity for higher frequency modes. Overall we find that the detailed structure in the high-frequency region of the spectral density has a significant impact on the nature of the dynamics of excitons.

AB - We investigate the extent to which the dynamics of excitons in the light-harvesting complex LH2 of purple bacteria can be described using a Markovian approximation. To analyse the degree of non-Markovianity in these systems, we introduce a measure based on fitting Lindblad dynamics, as well as employing a recently introduced trace-distance measure. We apply these measures to achromophore-dimer model of exciton dynamics and use the hierarchical equation-of-motion method to take into account the broad, low-frequency phonon bath. With a smooth phonon bath, small amounts of non-Markovianity are present according to the trace-distance measure, but the dynamics is poorlydescribed by a Lindblad master equation unless the excitonic dimer coupling strength is modified. Inclusion of underdamped, high-frequency modes leads to significant deviations from Markovian evolution in both measures. In particular, we find that modes that are nearly resonant with gaps in the excitonic spectrum produce dynamics that deviate most strongly from the Lindblad approximation,despite the trace distance measuring larger amounts of non-Markovianity for higher frequency modes. Overall we find that the detailed structure in the high-frequency region of the spectral density has a significant impact on the nature of the dynamics of excitons.

U2 - 10.1063/1.4978568

DO - 10.1063/1.4978568

M3 - Article

VL - 146

JO - Journal of Chemical Physics

T2 - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 12

M1 - 124113

ER -