Department of Physics, Lehigh University, 16 Memorial Drive East, Bethlehem, Pennsylvania 18015, USA.
J Chem Phys. 2018 Feb 21;148(7):074105. doi: 10.1063/1.4996877.
Recent quantum calculations of rotationally inelastic collisions of NaK (AΣ) with He or Ar in a cell experiment are analyzed using semiclassical approximations valid for large quantum numbers. The results suggest a physical interpretation of jm → j'm' transitions based on the vector model and lead to expressions that explicitly involve the initial and final polar angles of the angular momentum of the target molecule. The relation between the polar angle θ and the azimuthal quantum number m links the semiclassical results for the change in polar angle (θ → θ') to quantum results for an m → m' transition. Analytic formulas are derived that relate the location and width of peaks in the final polar angle distribution (PAD) to the K-dependence of the coefficients d(j, j'), which are proportional to tensor cross sections σ(j → j'). Several special cases are treated that lead to final PADs that are approximately Lorentzian or sinc functions centered at θ' = θ. Another interesting case, "angular momentum reversal," was observed in the calculations for He. This phenomenon, which involves a reversal of the direction of the target's angular momentum, is shown to be associated with oscillatory behavior of the d for certain transitions. Finally, several strategies for obtaining the d coefficients from experimental data are discussed.
最近使用适用于大量子数的半经典近似对在细胞实验中 NaK(AΣ)与 He 或 Ar 的旋转非弹性碰撞的量子计算进行了分析。结果基于向量模型对 jm→j'm' 跃迁提出了物理解释,并得出了明确涉及目标分子角动量初始和最终极角的表达式。极角θ与角量子数 m 之间的关系将角动量的极角变化(θ→θ')的半经典结果与 m→m'跃迁的量子结果联系起来。推导出了一些解析公式,将最终极角分布(PAD)中峰的位置和宽度与 K 依赖性相关联,d(j,j')系数与张量截面σ(j→j')成正比。处理了几个特例,得到了近似洛伦兹或 sinc 函数的最终 PAD,其中心位于θ'=θ。在 He 的计算中观察到了另一个有趣的情况,即“角动量反转”。这种现象涉及目标角动量方向的反转,被证明与某些跃迁的 d 的振荡行为有关。最后,讨论了从实验数据中获取 d 系数的几种策略。