Modeling of Influence of Fluctuations of Laser Irradiation Frequency on Photochemical Reactions

V. A. Morozov, D. E. Doronkin, P. Shorygin
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Abstract

The modeling of bifurcational dynamics of reaction centre in the field of an irradiation of the weak monochromatic or enough long (much more in comparison with the period of considered vibrations of "isomerization oscillator" in the exited resonant electronic state of a molecule) light pulses is given. The dynamics is described using the results of the numerical solutions of self-consistent Schrodinger equations for amplitudes of population of the electronic states of molecule and Newton equation for oscillator of reaction which describes the movement of nuclear subsystem of reaction centre along reaction coordinate. The examples of influence of linear change in time and (or) fluctuations of the laser pulse carrier frequency on the movement of reaction oscillator into one or another well of the double-well potential (isomerization) and over different form of potential barrier are given
激光照射频率波动对光化学反应影响的模拟
给出了弱单色光脉冲或足够长的光脉冲(与考虑的分子共振电子态“异构化振子”振动周期相比要长得多)辐照场中反应中心的分岔动力学模型。用描述分子电子态居群振幅的自洽薛定谔方程和描述反应中心核子系统沿反应坐标运动的反应振子牛顿方程的数值解的结果来描述动力学。给出了激光脉冲载流子频率的线性变化和(或)波动对反应振子进入双阱势阱(异构化)的一个或另一个势阱以及越过不同形式势垒的影响的例子
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