Geometrical phase driven predissociation: Lifetimes of 22 A' levels of H3

Abstract

We discuss the role of the geometrical phase in predissociation dynamics of vibrational states near a conical intersection of two electronic potential surfaces of a D3h molecule. For quantitative description of the predissociation driven by the coupling near a conical intersection, we developed a method for calculating lifetimes and positions of vibrational predissociated states (Feshbach resonances) for X3 molecule. The method takes into account the two coupled three-body potential energy surfaces, which are degenerate at the intersection. As an example, we apply the method to obtain lifetimes and positions of resonances of predissociated vibrational levels of the 22 A' electronic state of the H3 molecule. The three-body recombination rate coefficient for the H+H+H -> H2+H process is estimated.

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