Chemical Physics ( IF 2.0 ) Pub Date : 2018-01-02 , DOI: 10.1016/j.chemphys.2017.12.017 András Csehi , Gábor J. Halász , Ágnes Vibók
Natural and light-induced nonadiabatic effects are ubiquitous in many photochemical and photophysical processes. Here we study the interplay between them when they are present simultaneously in a molecular system. Our showcase example is the NaI molecule. Solving the time-dependent nuclear Schrödinger equation the photodissociation rate and the angular distribution of the molecular photofragments are calculated and discussed at several resonant laser energies and intensities. Obtained results clearly demonstrate that the dissociation rate and the angular distribution of the NaI photofragments can be considered as clear fingerprint of a collective effect of light-induced and natural nonadiabatic phenomena.
中文翻译:
光诱导和自然非绝热现象在NaI分子解离动力学中的集体作用
自然和光诱导的非绝热效应在许多光化学和光物理过程中无处不在。在这里,我们研究它们在分子系统中同时存在时它们之间的相互作用。我们的展示示例是NaI分子。通过求解时间相关的核薛定ding方程,可以在几种共振激光能量和强度下计算并讨论分子碎片的光解离速率和角分布。获得的结果清楚地表明NaI的解离速率和角度分布 可以将光碎片视为光诱导的自然非绝热现象的集体效应的清晰指纹。