The vector correlation between products and reagents for reaction O（3P）＋HCl→OH＋Cl is studied using a quasi- classical trajectory （QCT） method on the benchmark potential energy surface of the ground 3A″ state [Ramachandran and Peterson, J. Chem. Phys. 119 （2003） 9550]. The generalised differential cross section （2π/σ）（dσ00/dwt） is presented in the centre of mass frame. The distribution of dihedral angles, P（Фr）, and the distribution of angles between k and j′, P（θr）, are calculated. The influence of the collision energy and the influence of the reagent rotation and vibration on the product polarization are studied in the present work. The calculated results indicate that the rotational polarization of product molecule is almost independent of collision energy but sensitive to the reagent rotation and vibration. product rotational polarization, vector correlations, differential cross sections, quasi- classical trajectory
The time-resolved photoelectron spectrum (TRPES) of Rbl molecule is simulatedusing the time-dependent wave-packet method. Both the normal three-photon ionization process andauto-ionization process are involved in the simulation. The calculated results show that the changeof delay time will influence the shape of the photoelectron spectrum (PES), and the influence issubstantially due to the existence of the crossing between excited states and the strong laser fieldwhich will change the position of relevant curves.
