Visualising the role of non-perturbative environment dynamics in the dissipative generation of coherent electronic motion

Chin, A.W.; Mangaud, E.; Chevet, V.; Atabek, O.; Desouter, Michèle

doi:10.1016/j.chemphys.2019.110392

Article (Scientific journals)

Visualising the role of non-perturbative environment dynamics in the dissipative generation of coherent electronic motion

Chin, A.W.; Mangaud, E.; Chevet, V. et al.

2019 • In Chemical Physics, 525, p. 110392

Peer Reviewed verified by ORBi

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https://hdl.handle.net/2268/236757

DOI
10.1016/j.chemphys.2019.110392

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Keywords :

Excitation transfer; HEOM; non markovianity

Abstract :

[en] Targeted exciton transport is crucial for efficient light-harvesting, but its microscopic description in biological systems is complicated by strong environmental coupling, highly structured vibrational environments and non-Markovian open system dynamics. In this article we employ the non-perturbative hierarchical equations of motion (HEOM) technique to explore how structured environments and tuned electronic properties can lead to the generation of coherent motion across a directed transport network, i.e. one containing an energy gradient. By further exploiting the information contained in the auxiliary HEOM matrices, we also visualize the complete displacement distributions of the main reaction coordinate during the ultrafast relaxation, and show that highly non-Gaussian profiles emerge when the electronic dynamics become quasi-reversible and involve bath-induced delocalized states. These coherent dynamics are spontaneously generated by earlier incoherent relaxation events, and we also demonstrate the correlation between the environmental coordinates and a quantitative volume-based measure of non- Markovianity.

Disciplines :

Chemistry

Author, co-author :

Chin, A.W.; Paris-Sorbonne

Mangaud, E.; Université Paris-Sorbonne

Chevet, V.; Paris-Sud

Atabek, O.

Desouter, Michèle ; Université de Liège - ULiège > Département de chimie (sciences) > Département de chimie (sciences)

Language :

English

Title :

Visualising the role of non-perturbative environment dynamics in the dissipative generation of coherent electronic motion

Publication date :

2019

Journal title :

Chemical Physics

ISSN :

0301-0104

Publisher :

Elsevier, Netherlands

Volume :

525

Pages :

110392

Peer reviewed :

Peer Reviewed verified by ORBi

Name of the research project :

Bourse D'Alembert paris Saclay

Available on ORBi :

since 11 June 2019

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