Article ID Journal Published Year Pages File Type
5388271 Chemical Physics Letters 2008 5 Pages PDF
Abstract
A simple but accurate approach, is introduced to calculate the coupling matrix element for thermal electron transfer in donor-bridge-acceptor systems. The method is formulated beyond the two-state framework. The electronic coupling is explicitly expressed through energies of relevant adiabatic states and charges on the donor and acceptor.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Charge-on-site scheme to estimate the electronic coupling in electron transfer systems
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