کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9582323 1505185 2005 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Electron transfer rate in the Marcus inverted regime beyond the perturbation theory
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Electron transfer rate in the Marcus inverted regime beyond the perturbation theory
چکیده انگلیسی
Two possible quantum mechanical methods, the flux-flux correlation function formula in time domain and quantum S-matrix approach in energy domain, are used to evaluate the electron transfer rate in the Marcus inverted regime. One dimensional test calculations show that both methods give the same results in the whole range of the coupling strength from adiabatic to diabatic limits. It is also shown that the perturbation theory in the strong coupling regime predicts incorrect electronic transfer rate as expected. Potential application of both quantum methods to complex systems is discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 413, Issues 4–6, 26 September 2005, Pages 362-366
نویسندگان
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