Transition state theory for laser-driven reactions.

Transition state theory for laser-driven reactions.
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激光驱动反应的过渡态理论。

DOI:
10.1063/1.2720841
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发表时间:
2007
期刊:
The Journal of chemical physics
影响因子:
--
通讯作者:
T. Uzer
T. Uzer
中科院分区:
--
文献类型:
--
作者:
Shinnosuke Kawai;A. Bandrauk;C. Jaffé;T. Bartsch;J. Palacián;T. Uzer

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由动力系统理论带来的过渡态理论的最新发展被扩展到依赖于时间的系统,如激光驱动的反应。利用含时规范形理论,作者构造了一个过渡区内具有正则动力学的反应坐标。守恒的相关行动,使人们能够提取依赖于时间的不变流形,作为反应和nonreactive轨迹之间的separatrices,从而有可能预测的轨迹的最终命运。他们说明了我们的方法的驱动Henon-Heiles系统,这是一个简单的例子,一个反应系统与几个开放的通道上的权力。目前过渡态理论的推广到驱动系统将允许人们研究过程,如通过激光脉冲控制化学反应。
Recent developments in transition state theory brought about by dynamical systems theory are extended to time-dependent systems such as laser-driven reactions. Using time-dependent normal form theory, the authors construct a reaction coordinate with regular dynamics inside the transition region. The conservation of the associated action enables one to extract time-dependent invariant manifolds that act as separatrices between reactive and nonreactive trajectories and thus make it possible to predict the ultimate fate of a trajectory. They illustrate the power of our approach on a driven Henon-Heiles system, which serves as a simple example of a reactive system with several open channels. The present generalization of transition state theory to driven systems will allow one to study processes such as the control of chemical reactions through laser pulses.
DOI: 10.1002/0471712531
发表时间: 2005
期刊: --
影响因子: --
作者:
戸田 幹人
通讯作者: 戸田 幹人