ArticleScientific reports2017
Simulation of Quantum Dynamics of Excitonic Systems at Finite Temperature: an efficient method based on Thermo Field Dynamics.
Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- A numerically exact description of ultrafast vibrational decoherence in vibration-coupled electron transfer.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Minimizing non-radiative decay in molecular aggregates through control of excitonic coupling.Nature communications · 2023Article
- Photo-induced phase-transitions in complex solids.Nanoscale advances · 2022Review
- Article
- Finite-Temperature, Anharmonicity, and Duschinsky Effects on the Two-Dimensional Electronic Spectra from Ab Initio Thermo-Field Gaussian Wavepacket Dynamics.The journal of physical chemistry letters · 2021Article
- Coherent Effects in Charge Transport in Molecular Wires: Toward a Unifying Picture of Long-Range Hole Transfer in DNA.The journal of physical chemistry letters · 2020Article
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Authors and funding
2 authors.
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Abstract
Quantum electron-vibrational dynamics in molecular systems at finite temperature is described using an approach based on Thermo Field Dynamics theory. This formulation treats temperature effects in the Hilbert space without introducing the Liouville space. The solution of Thermo Field Dynamics equations with a novel technique for the propagation of Tensor Trains (Matrix Product States) is implemented and discussed. The methodology is applied to the study of the exciton dynamics in the Fenna-Mathews-Olsen complex using a realistic structured spectral density to model the electron-phonon interaction. The results of the simulations highlight the effect of specific vibrational modes on the exciton dynamics and energy transfer process, as well as call for careful modeling of electron-phonon couplings.
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