ArticleThe journal of physical chemistry. B2020
Absorption and Circular Dichroism Spectra of Molecular Aggregates With the Full Cumulant Expansion.
Article in The journal of physical chemistry. B, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed, 31 citations in OpenAlex.
- Exciton Delocalization Promotes Far-Red Absorption in a Tetrameric ChlorophyllJournal of the American Chemical Society · 2025Article
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- Protein Effects on the Excitation Energies and Exciton Dynamics of the CP24 Antenna Complex.The journal of physical chemistry. B · 2024Article
- Electric Field Susceptibility of Chlorophyll c Leads to Unexpected Excitation Dynamics in the Major Light-Harvesting Complex of Diatoms.The journal of physical chemistry letters · 2024Article
- Quantum chemical elucidation of a sevenfold symmetric bacterial antenna complex.Photosynthesis research · 2023Article
- Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes.Journal of chemical theory and computation · 2023Article
- Unraveling the role of thermal fluctuations on the exciton structure of the cryptophyte PC612 and PC645 photosynthetic antenna complexes.Frontiers in molecular biosciences · 2023Article
- Quantum-Classical Approach for Calculations of Absorption and Fluorescence: Principles and Applications.Journal of chemical theory and computation · 2021Article
- Absorption and Circular Dichroism Spectra of Molecular Aggregates With the Full Cumulant Expansion.The journal of physical chemistry. B · 2020Article
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Authors and funding
3 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The exciton Hamiltonian of multichromophoric aggregates can be probed by spectroscopic techniques such as linear absorption and circular dichroism. To compare calculated Hamiltonians to experiments, a lineshape theory is needed, which takes into account the coupling of the excitons with inter- and intramolecular vibrations. This coupling is normally introduced in a perturbative way through the cumulant expansion formalism and further approximated by assuming a Markovian exciton dynamics, for example with the modified Redfield theory. Here, we present the implementation of the full cumulant expansion (FCE) formalism (
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