The study of flux redistribution during molecular photodissociation : adiabatic and diabatic analyses and application to the dissociation of CH3I
The study of flux redistribution during molecular photodissociation : adiabatic and diabatic analyses and application to the dissociation of CH3I
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分子光解离过程中通量再分布的研究：绝热和非绝热分析及其在CH3I解离中的应用
DOI：
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发表时间：
1992
期刊：
影响因子：
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通讯作者：
D. Manolopoulos
中科院分区：
文献类型：
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作者：
M. Alexander;C. Rist;D. Manolopoulos
本文推广了我们研究分子光解机理的新方法。这种方法涉及与时间无关的研究光碎片通量的增长，由光子吸收控制，以及随后的通量重新分布，由激发的未结合态的哈密顿量控制。通量分析可以很容易地在非绝热（渐近），局部绝热，或完全绝热的基础上进行。光碎片通量的重新分布可以在内部状态空间或坐标空间中进行研究。应用程序是由一维和二维模型的光解CH3I。
This paper extends our new method for the study of the mechanism of molecular photodissociation. This method involves the time‐independent study of the growth of photofragment flux, governed by photon absorption, and the subsequent redistribution of the flux, governed by the Hamiltonian in the excited, unbound state. The flux analysis can be carried out easily in either a diabatic (asymptotic), locally adiabatic, or fully adiabatic basis. The redistribution of the photofragment flux can be investigated in either internal state space or coordinate space at each excitation energy. Application is made to one‐ and two‐dimensional models for the photodissociation of CH3I.