Modified-scaled hierarchical equation of motion approach for the study of quantum coherence in photosynthetic complexes

Abstract

We present a detailed theoretical study of the transfer of electronic excitation energy through the Fenna-Matthews-Olson (FMO) pigment-protein complex, using the new developed modified scaled hierarchical approach [Shi Q. et al, J Chem Phys 2009, 130, 084105]. We show that this approach is computationally more efficient than the original hierarchical approach. The modified approach reduces the truncation levels of the auxiliary density operators and the correlation function. We provide a systematic study of how the number of auxiliary density operators and the higher-order correlation functions affect the exciton dynamics. The time scales of the coherent beating are consistent with experimental observations. Furthermore, our theoretical results exhibit population beating at physiological temperature. Additionally, the method does not require a low-temperature correction to obtain the correct thermal equilibrium at long times.

21 pages, 7 figures. Accepted by J Phys Chem B

References in corpus (5)

• Environment-Assisted Quantum Walks in Photosynthetic Energy Transfer
• Dephasing assisted transport: Quantum networks and biomolecules
• Environment-Assisted Quantum Transport
• Highly efficient energy excitation transfer in light-harvesting complexes: The fundamental role of noise-assisted transport
• Role of quantum coherence in chromophoric energy transport

Cited by in corpus (2)

• High-performance solution of hierarchical equations of motions for studying energy-transfer in light-harvesting complexes
• Exciton-phonon information flow in the energy transfer process of photosynthetic complexes