Article
Quantum effects in electron transfer reactions with strong electronic coupling
The Journal of Chemical Physics
(1994)
Abstract
A new complex centroid reaction coordinate method is used to study electron transfer systems with strong electronic coupling. Formal analogy between current problem and the Ising model of one‐dimensional spin system is used to develop a useful approximation for the partition function of electron transfer system in all orders of perturbation theory and when quantum effects are present. The reactions in the inverted region are discussed. The range of applicability of the usual nonadiabatic theory is re‐examined. It is concluded that quantum solvent modes can effectively reduce electronic coupling in such a way that a nonadiabatic behavior can sometimes be induced in conventionally strongly coupled systems. Such an induced quantum nonadiabaticity is demonstrated in a numerical calculation.
Disciplines
Publication Date
August 31, 1994
DOI
10.1063/1.468444
Publisher Statement
This article is from The Journal of Chemical Physics, 1994, 101(11); 9354-9365. Doi: 10.1063/1.468444. Posted with permission.
Citation Information
Alexei A. Stuchebrukhov and Xueyu Song. "Quantum effects in electron transfer reactions with strong electronic coupling" The Journal of Chemical Physics Vol. 101 Iss. 11 (1994) p. 9354 - 9365 Available at: http://works.bepress.com/xueyu-song/3/