The DOI matches its Crossref record; 15 of the 15 references it cites were found in a registry or an index.
Time-Dependent Atomistic View on the Electronic Relaxation in Light-Harvesting System II
Abstract
Aiming at a better understanding of the molecular details in light absorption during photosynthesis, spatial and temporal correlation functions as well as spectral densities have been determined. At the focus of the present study are the light-harvesting II complexes of the purple bacterium Rhodospirillum molischianum. The calculations are based on a time-dependent combination of molecular dynamics simulations and quantum chemistry methods. Using a 12 ps long trajectory, different quantum chemical methods have been compared to each other. Furthermore, several approaches to determine the couplings between the individual chromophores have been tested. Correlations between energy gap fluctuations of different individual pigments are analyzed but found to be negligible. From the energy gap fluctuations, spectral densities are extracted which serve as input for calculations of optical properties and exciton dynamics. To this end, the spectral densities are tested by determining the linear absorption of the complete two-ring system. One important difference from earlier studies is given by the severely extended length of the trajectory along which the quantum chemical calculations have been performed. Due to this extension, more accurate and reliable data have been obtained in the low frequency regime which is important in the dynamics of electronic relaxation.
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Cited by
Schröter, M., Ivanov, S. D., Schulze, J., Polyutov, S. P., Yan, Y., Pullerits, T., & Kühn, O. (2015) · Physics Reports · doi:10.1016/j.physrep.2014.12.001 · Cited by 255
Atomistic Study of the Long-Lived Quantum Coherences in the Fenna-Matthews-Olson Complex
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Metadata
- Authors
- Olbrich, C., & Kleinekathöfer, U.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2010-09-01
- Volume
- 114
- Issue
- 38
- Pages
- 12427-12437
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2045345626
- Cited by
- 165
- References
- 15
- FWCI
- 7.76
- Type
- journal article
- Language
- en
- Open access
- closed
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