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	Quantum effect of intramolecular high-frequency vibrational modes on diffusion-controlled electron transfer rate: From the weak to the strong electronic coupling regions
	Zhu, W. J. ; Zhao, Y. ; Zhao Y(赵仪)
	2007
关键词	CONDENSED-PHASE ADIABATIC SUPPRESSION CHEMICAL-REACTIONS INVERTED REGION POLAR-SOLVENTS FREE-ENERGIES DYNAMICS TRANSITION SYSTEMS EQUATION
英文摘要	The Sumi-Marcus theory is extended by introducing two approaches to investigate electron transfer reactions from weak-to-strong electronic coupling regime. One of these approaches is the quantum R-matrix theory, useful for dealing with the intramolecular vibrational motions in the whole electronic coupling domain. The other is the split operator approach that is employed to solve the reaction-diffusion equation. The approaches are then applied to electron transfer in the Marcus inverted regime to investigate the nuclear tunneling effect on the long time rate and the survival probabilities. The numerical results illustrate that the adiabatic suppression obtained from the R-matrix approach is much smaller than that from the Landau-Zener theory whereas it cannot be predicted by the perturbation theory. The jointed effects of the electronic coupling and solvent relaxation time on the rates are also explored. (c) 2007 American Institute of Physics.
语种	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/63446]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Zhu, W. J.,Zhao, Y.,Zhao Y. Quantum effect of intramolecular high-frequency vibrational modes on diffusion-controlled electron transfer rate: From the weak to the strong electronic coupling regions[J],2007.
APA	Zhu, W. J.,Zhao, Y.,&赵仪.(2007).Quantum effect of intramolecular high-frequency vibrational modes on diffusion-controlled electron transfer rate: From the weak to the strong electronic coupling regions..
MLA	Zhu, W. J.,et al."Quantum effect of intramolecular high-frequency vibrational modes on diffusion-controlled electron transfer rate: From the weak to the strong electronic coupling regions".(2007).

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