Theoretical Investigation On The Mechanism Of Charge Transfer In Condensed Phase Matter

The thesis focuses on the effects of solvents on the charge transfer process. It consists of two parts that treat respectively two aspects of charge transfer mechanism: (i) the kinetics and thermodynamics of electron transfer in Debye solvents (ii) the research on long-range charge transfers in DNA. In the first part of the thesis we set up an exact analytical and nonperturbative rate theory based on the reduced density matrix dynamics. We construct an exact analytical and nonperturbative rate theory via dissipation theory approach. Not only has it recover for the reaction rates the celebrated Marcus'inversion and Kramers turnover behaviors, the new theory also predicts for the thermodynamics of reaction some novel turnover features. In part two of the thesis we make an investigation on the mechanism of charge transfer in aqueous DNA. The partially coherent theory adopted to describe the charge transfer process in DNA in this thesis is reasonable including both the description of coherent tunneling and coherent tunneling mediated hopping processes so it can give some reasonable pictures on the real charge transfer process. We make a comparison study between the numerical results of partially coherent theory and experimental results. We make it clear that on what kinds of condition should a mechanism be employed to explain the charge transfer process in DNA.