论文标题
在低于HD的振动激发HD的烈性反应性散射中的Feshbach共振的预测
Prediction of a Feshbach Resonance in the Below-the-Barrier Reactive Scattering of Vibrationally Excited HD with H
论文作者
论文摘要
使用准确的势能表面进行了由于与H碰撞而导致的HD振动淬灭的量子反应性散射计算。 The state-to-state cross sections for the chemical reaction HD ($v=1, \ j=0$) + H $\rightarrow$ D + H$_2$ ($v'=0, \ j'$) at collision energies between 1 and 10,000 cm$^{-1}$ are presented, and a Feshbach resonance in the low-energy regime, below the reaction barrier, is observed for the first time.共振归因于与$ v = 1，\ j = 1 $级别的振动绝热电势相关的耦合，并且它由单个部分波的贡献主导。讨论了共振的特性，例如其动态行为，相行为和寿命。
Quantum reactive scattering calculations on the vibrational quenching of HD due to collisions with H were carried out employing an accurate potential energy surface. The state-to-state cross sections for the chemical reaction HD ($v=1, \ j=0$) + H $\rightarrow$ D + H$_2$ ($v'=0, \ j'$) at collision energies between 1 and 10,000 cm$^{-1}$ are presented, and a Feshbach resonance in the low-energy regime, below the reaction barrier, is observed for the first time. The resonance is attributed to coupling with the vibrationally adiabatic potential correlating to the $v=1, \ j=1$ level of the HD molecule, and it is dominated by the contribution from a single partial wave. The properties of the resonance, such as its dynamic behavior, phase behavior, and lifetime, are discussed.
