Quantum flux redistribution during molecular photodissociation
Quantum flux redistribution during molecular photodissociation
复制标题
分子光解离过程中的量子通量重新分布
DOI：
10.1063/1.463091
复制
发表时间：
1992
影响因子：
4.4
通讯作者：
M. Alexander
中科院分区：
文献类型：
--
作者：
D. Manolopoulos;M. Alexander
本文将亚历山大最近提出的研究非弹性碰撞机制的新方法应用于分子光解离的研究。这种适应涉及确定与驱动的光解离波函数在每个固定的散射能量的电流密度，并产生一个图片，如何作为解离坐标的函数，传出的光碎片通量上升的弗兰克-康登区域的光子吸收和它如何重新分配之间的可用的内部通道的光碎片移动分开。这张图补充了通常的光解离的时间依赖性图，特别是允许人们在每个单独的激发激光频率下详细分析光解离的机制。在一个简单的两态模型中，碘甲烷的电子非绝热光解的通量再分配的研究作为该方法的第一个例子。
A new method proposed recently by Alexander for studying the mechanisms of inelastic collisions is adapted to the study of molecular photodissociation. This adaptation involves the determination of the current density associated with a driven photodissociation wavefunction at each fixed scattering energy, and yields a picture of how, as a function of the dissociation coordinate, the outgoing photofragment flux rises in the Franck–Condon region on absorption of the photon and how it redistributes between the available internal channels as the photofragments move apart. This picture complements the usual time‐dependent picture of photodissociation, allowing one in particular to analyze the mechanism of the photodissociation in detail at each individual excitation laser frequency. A study of flux redistribution in a simple two‐state model for the electronically nonadiabatic photodissociation of methyl iodide is presented as a first illustration of the approach.