Reduced hierarchy equations of motion approach with Drude plus Brownian spectral distribution: Probing electron transfer processes by means of two- dimensionalcorrelation spectroscopy

Abstract

We theoretically investigate an electron transfer (ET) process in a dissipative environment by means of two-dimensional (2D) correlation spectroscopy. We extend the reduced hierarchy equations of motion approach to include both overdamped Drude and underdamped Brownian modes. While the overdamped mode describes the inhomogeneity of a system in the slow modulation limit, the underdamped mode expresses the primary vibrational mode coupled with the electronic states. We outline a procedure for calculating 2D correlation spectrum that incorporates the ET processes. The present approach has the capability of dealing with system-bath coherence under an external perturbation, which is important to calculate nonlinear response functions for non-Markovian noise. The calculated 2D spectrum exhibits the effects of the ET processes through the presence of ET transition peaks along the ${\Omega }_1$ axis, as well as the decay of echo signals.

28 pages, 8 figures; J. Chem. Phys. 137 (2012)

References in corpus (10)

• Origin of Long Lived Coherences in Light-Harvesting Complexes
• Long-Lived Electronic Coherence in Dissipative Exciton-Dynamics of Light-Harvesting Complexes
• High-performance solution of hierarchical equations of motions for studying energy-transfer in light-harvesting complexes
• Entanglement Dynamics of Two Qubits in a Common Bath
• Modified-scaled hierarchical equation of motion approach for the study of quantum coherence in photosynthetic complexes
• Modelling of Oscillations in Two-Dimensional Echo-Spectra of the Fenna-Matthews-Olson Complex
• Exciton-phonon information flow in the energy transfer process of photosynthetic complexes
• Ultrafast Photo-Induced Charge Transfer Unveiled by Two-Dimensional Electronic Spectroscopy
• Advancing hierarchical equations of motion for efficient evaluation of coherent two-dimensional spectroscopy
• Non-Markovianity: initial correlations and nonlinear optical measurements

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