Abstract

The scattering resonance state of the F + H2reactive system has been the focus of the reactive resonance or Feshbach resonance, since the reaction can generate infrared laser. The partial potential-energy surface is constructed with the ab initio method, and the formation mechanism of the scattering resonance is studied. The resonance energy is given, and the first resonance life is estimated. The F + H2and F + HD reactive systems are investigated simultaneously to study the isotope effect, and some valuable results are achieved.

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