使用改进的超球量子反应散射方法，计算了 S(1D) + D2 (v=0, j=0) 反应的反应和弹性截面及速率系数。所考虑的碰撞能范围从超冷区域（仅一个分波开放）到 Langevin 区域（多个分波贡献）。本工作将量子计算扩展至冷和超冷域能量，此前这些计算已与实验结果进行过比较。结果经分析并与 Jachymski 等人 [Phys. Rev. Lett. 110, 213202 (2013)] 的量子缺陷理论普适情形进行比较。还展示了覆盖低热、冷和超冷碰撞能域的态-态积分和微分截面。发现在 E/k_B T < 1 K 时，与预期统计行为存在显著偏离，动力学特征随碰撞能降低愈发重要，导致振动激发。
英文摘要：
Reactive and elastic cross-sections, and rate coefficients, have been calculated for the S(1D)+ D2 (v=0, j=0) reaction using a modified hyperspherical quantum reactive scattering method. The considered collision energy ranges from the ultracold regime, where only one partial wave is open, up to the Langevin regime, where many of them contribute. This work presents the extension of the quantum calculations, which were compared with the experimental results in a previous work, down to energies in the cold and ultracold domains. Results are analyzed and compared with the universal case of the quantum defect theory by Jachymski et al. [Phys. Rev. Lett. 110, 213202 (2013)]. State-to-state integral and differential cross sections are also shown covering the ranges of low-thermal, cold and ultracold collision energy regimes. It is found that at E/k_B T < 1 K there are substantial departures from the expected statistical behavior, and that dynamical features become increasingly important with decreasing collision energy, leading to vibrational excitation.
Dual-Path Mechanism of Amino Acid Racemization Mediated by Quantum Mechanical Tunneling
Institute of Atomic and Molecular Physics, Jilin University（吉林大学原子与分子物理研究所）；Key Laboratory of Material Simulation Methods & Software of Ministry of Education, College of Physics, Jilin University（吉林大学物理学院教育部材料模拟方法与软件重点实验室）
