ArticleNature communications2022
Exact simulation of pigment-protein complexes unveils vibronic renormalization of electronic parameters in ultrafast spectroscopy.
Article in Nature communications, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Vibronic Coherence in a Minimal Pigment-Protein Complex Probed by Two-Dimensional Electronic-Vibrational Spectroscopy.The journal of physical chemistry. B · 2026Article
- Quantum biology: From mechanisms to medicine.Clinical and translational medicine · 2026Review
- Trajectory-based computational analysis of the quantum-classical transition in asymmetrically coupled spin-boson models.Computational and structural biotechnology journal · 2026Article
- Full microscopic simulations uncover persistent quantum effects in primary photosynthesis.Science advances · 2025Article
- Open quantum systems theory of ultraweak ultraviolet photon emissions: Revisiting Gurwitsch's onion experiment as a prototype for quantum biology.Computational and structural biotechnology journal · 2024Review
- A Simple Expression for the Screening of Excitonic Couplings between Chlorophylls as Inferred for Photosystem I Trimers.International journal of molecular sciences · 2024Article
- Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations.Chemical science · 2024Article
- A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property Simulation.Plants (Basel, Switzerland) · 2023Article
- Resonant vibrations produce quantum bridge over high-energy states in heterogeneous antenna.Photosynthesis research · 2023Article
- Living on the edge: light-harvesting efficiency and photoprotection in the core of green sulfur bacteria.Physical chemistry chemical physics : PCCP · 2023Article
- Signatures of intramolecular vibrational and vibronic QPhotosynthesis research · 2023Article
- The location of the low-energy states in Lhca1 favors excitation energy transfer to the core in the plant PSI-LHCI supercomplex.Photosynthesis research · 2023Article
- Towards a quantitative description of excitonic couplings in photosynthetic pigment-protein complexes: quantum chemistry driven multiscale approaches.Physical chemistry chemical physics : PCCP · 2022Article
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6 authors.
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Abstract
The primary steps of photosynthesis rely on the generation, transport, and trapping of excitons in pigment-protein complexes (PPCs). Generically, PPCs possess highly structured vibrational spectra, combining many discrete intra-pigment modes and a quasi-continuous of protein modes, with vibrational and electronic couplings of comparable strength. The intricacy of the resulting vibronic dynamics poses significant challenges in establishing a quantitative connection between spectroscopic data and underlying microscopic models. Here we show how to address this challenge using numerically exact simulation methods by considering two model systems, namely the water-soluble chlorophyll-binding protein of cauliflower and the special pair of bacterial reaction centers. We demonstrate that the inclusion of the full multi-mode vibronic dynamics in numerical calculations of linear spectra leads to systematic and quantitatively significant corrections to electronic parameter estimation. These multi-mode vibronic effects are shown to be relevant in the longstanding discussion regarding the origin of long-lived oscillations in multidimensional nonlinear spectra.
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