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在 QCISD ( T) / / MP2水平下 ,分别采用 6-3 1 1 ++G* * 基组和 SDD基组对重 -轻 -重反应 I+HI(ν=0 )→ IH(ν′=0 ) +I中的 H和 I的偏分势能面进行了 ab initio计算 ,指认出在 0～ 0 .5 8e V碰撞能范围内所产生的 6个散射共振态为 Feshbach共振 ,并与文献报道的量子散射理论计算与高分辨阈值光分离光谱实验结果进行了比较 .
Under the condition of QCISD (T) / / MP2, the heavy-light-heavy reaction I + HI (ν = 0) → IH (ν ’= 0) + I, the partial potential energy planes of H and I are ab initio calculated, and the 6 scattered resonance states generated in the range of 0 ~ 0 .5 8e V collision energy are identified as Feshbach resonance and reported in the literature Quantum Scattering Theoretical Computation and High Resolution Threshold Optical Separation Spectroscopy Results.