Photodissociation via excited electronic states is often influenced by the breakdown of the Born-Oppenheimer approximation. As a result, it serves as an important testing ground for understanding of non-adiabatic dynamics. To gain a quantitative understanding of these processes, one needs a full-dimensional quantum characterization of the dissociation dynamics on accurate global potential energy surfaces as well as their couplings. The combination of the two yields unprecedented insights into these half-collision processes. In this presentation, we will discuss our latest work on quantum dynamics of photodissociation of H2O in its B band on a set of newly developed diabatic potential energy surfaces.1-3 We will focus on the competing non-adiabatic pathways via the conical intersections and Renner-Teller coupling. In addition, we will also discuss our six-dimensional wave packet studies on the photodissociation of NH3 and ND3 in their A band using the recent diabatic potential energy surfaces developed by Zhu and Yarkony.4-6 We will focus on the non-adiabatic dynamics with and without vibrational excitation on the ground electronic state.(1)          Jiang, B.; Xie, D.; Guo, H. J. Chem. Phys. 2011 , 134, 231103.(2)          Jiang, B.; Xie, D.; Guo, H. J. Chem. Phys. 2012 , 136, 034302.(3)          Zhou, L.; Jiang, B.; Guo, H.; Xie, D. J. Phys. Chem. A to be submitted .(4)          Zhu, X.; Ma, J.; Yarkony, D. R.; Guo, H. J. Chem. Phys. 2012 , 136, 234301.(5)          Ma, J.; Zhu, X.; Guo, H.; Yarkony, D. R. J. Chem. Phys. 2012 , 137, 22A541.(6)          Ma, J.; Xie, C.; Zhu, X.; Xie, D.; Guo, H.; Yarkony, D. R. J. Phys. Chem. A to be submitted .

Quantum non-adiabatic dynamics in polyatomic photodissociation

245th National Meeting (2013)

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