Kinetics and thermodynamics of electron transfer in Debye solvents: An analytical and nonperturbative reduced density matrix theory

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dc.creatorHan, Ping
dc.creatorXu, Rui-Xue
dc.creatorLi, Baiqing
dc.creatorXu, Jian
dc.creatorCui, Ping
dc.creatorMo, Yan
dc.creatorYan, YiJing
dc.date2006-04-11
dc.date.accessioned2026-07-07T07:11:50Z
dc.date.available2026-07-07T07:11:50Z
dc.descriptionA nonperturbative electron transfer rate theory is developed based on the reduced density matrix dynamics, which can be evaluated readily for the Debye solvent model without further approximation. Not only does it recover for reaction rates the celebrated Marcus' inversion and Kramers' turnover behaviors, the present theory also predicts for reaction thermodynamics, such as equilibrium Gibbs free-energy and entropy, some interesting solvent-dependent features that are calling for experimental verification. Moreover, a continued fraction Green's function formalism is also constructed, which can be used together with Dyson equation technique, for efficient evaluation of nonperturbative reduced density matrix dynamics.
dc.description8 pages, 5 figures. J. Phys. Chem. B, accepted
dc.identifierhttps://arxiv.org/abs/quant-ph/0604071
dc.identifierhttp://arxiv.org/abs/quant-ph/0604071
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/111908
dc.subjectQuantum Physics
dc.titleKinetics and thermodynamics of electron transfer in Debye solvents: An analytical and nonperturbative reduced density matrix theory
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