NONLINEAR QUANTUM EFFECTS ON ELECTRON-TRANSFER REACTIONS

被引:3
|
作者
YOSHIMORI, A
机构
[1] Department of Physics, Nagoya University, Nagoya
关键词
D O I
10.1016/0009-2614(95)00109-H
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
An approximate expression is developed for a nonadiabatic electron transfer rate to estimate quantum effects of nuclear rearrangements. The time-dependent formula for Fermi's golden rule is expanded by Plank's constant to the second order, using the Wigner transformation. The method of ($) over bar h-expansion is applicable to systems with nonlinear potentials or many degrees of freedom. Using a continuum approximation, from the expansion, a rate expression is obtained, including sizes of reactants and a distance between reactants explicitly. The ratio of the obtained rate to the classical rate agrees well with a ratio by a quantum Monte Carlo simulation.
引用
收藏
页码:303 / 308
页数:6
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