通过光诱导锥形交叉实现原子-离子电荷交换的量子调控
Quantum Control of Atom-Ion Charge Exchange via Light-induced Conical Intersections
AI总结：
本文研究超冷原子-离子电荷交换反应中激光诱导锥形交叉的非绝热效应，预测K与Ca$^+$速率系数随激光频率出现不规则干涉，并揭示锥形交叉可使速率系数差异达$10^{-9}$ cm$^3$/s。
摘要：
锥形交叉是碰撞原子和分子在多维坐标空间中两个或多个绝热电子势能面之间的交叉点或交叉线。锥形交叉及相应的非绝热耦合能够显著影响分子动力学和化学性质。在本文中，我们预测在存在激光诱导锥形交叉（LICIs）的超冷原子-离子电荷交换反应中会出现显著或可测量的非绝热效应。我们在独特条件下研究这些LICIs对分子反应活性的基本物理：即相对较低的激光强度$10^8$ W/cm$^2$和低于1 mK的超冷温度。我们预测K与Ca$^+$之间的电荷交换速率系数作为激光频率的函数会出现不规则干涉效应。由于系统中存在两个LICIs，这些不规则现象得以出现。为了进一步阐明LICIs在反应动力学中的作用，我们将这些速率系数与在锥形交叉被“移除”的系统中计算得到的速率系数进行比较。在存在锥形相互作用的激光频率窗口内，速率系数的差异可高达$10^{-9}$ cm$^3$/s。
英文摘要：
Conical intersections are crossing points or lines between two or more adiabatic electronic potential energy surfaces in the multi-dimensional coordinate space of colliding atoms and molecules. Conical intersections and corresponding non-adiabatic coupling can greatly affect molecular dynamics and chemical properties. In this paper, we predict significant or measurable non-adiabatic effects in an ultracold atom-ion charge-exchange reaction in the presence of laser-induced conical intersections (LICIs). We investigate the fundamental physics of these LICIs on molecular reactivity under unique conditions: those of relatively low laser intensity of $10^8$ W/cm$^2$ and ultracold temperatures below 1 mK. We predict irregular interference effects in the charge-exchange rate coefficients between K and Ca$^+$ as functions of laser frequency. These irregularities occur in our system due to the presence of two LICIs. To further elucidate the role of the LICIs on the reaction dynamics, we compare these rate coefficients with those computed for a system where the CIs have been ``removed''. In the laser frequency window, where conical interactions are present, the difference in rate coefficients can be as large as $10^{-9}$ cm$^3$/s.
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