几何相位驱动的预解离:H_3分子2^2A '能级的寿命
Geometrical phase driven predissociation: Lifetimes of 2^2 A' levels of H_3
摘要:
讨论了几何相位在D_{3h}分子两个电子势面圆锥相交处附近振动态预解离动力学中的作用。为了定量描述锥形交叉点附近耦合驱动的预解离,我们发展了一种计算X_3分子振动预解离态(费什巴赫共振)寿命和位置的方法。该方法考虑了两个耦合的三体势能面,这是退化的交叉点。作为一个例子,我们应用该方法计算了H_3分子2^2A '电子态的预离解振动能级的共振寿命和共振位置。估算了H+H+H -> H_2+H过程的三体复合速率系数。
英文摘要:
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 D_{3h} 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 X_3 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 2^2 A' electronic state of the H_3 molecule. The three-body recombination rate coefficient for the H+H+H -> H_2+H process is estimated.
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