DENSITY MATRIX ANALYSIS AND SIMULATION OF ELECTRON DYNAMICS IN MULTIPLE-BRIDGED DONOR/ACCEPTOR MOLECULES UNDER DISSIPATIVE ENVIRONMENTS

作者：Zhao, Yi^*

来源：Journal of Theoretical and Computational Chemistry, 2008, 7(4): 869-877.

DOI：10.1142/S0219633608004179

• QUANTUM TIME EVOLUTION
• TENSOR PROPAGATOR
• COMPLEX-SYSTEMS
• CHARGE-TRANSFER
• HYBRID APPROACH
• TRANSFER RATES
• SUPEREXCHANGE
• PHOTOSYNTHESIS
• METHODOLOGY
• COHERENCE

Feynman and Vernon path integral approach is adopted to investigate electron transfer dynamics in donor-bridge-acceptor molecules under dissipative environments. Especially, we focus on the solvent effect on the superexchange process of electron transfer. The results reveal that at high enough bridge energies or low enough temperature, electron can transfer with a superexchange mechanism no matter whether solvent is incorporated or not. However, the superexchange changes from coherent to incoherent limits when the dissipative strength increases, and electron transfer rates are much dependent on the dissipative strength.

• 出版日期2008-8
• 单位厦门大学