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基于Ho等人的精确势能面(J. Chem. Phys. 119, 3063(2003))研究,运用准经典轨线方法计算了21.3 kJ/mol碰撞能下反应N(2D)+H2→NH+H和N(2D)+D2→ND+D的产物与反应物之间的矢量相关.发现两个反应的产物角分布都是前向和后向呈现峰值分布,产物的转动角动量矢量j′不仅是取向的,而且是在y轴负方向上定向的.两个反应显示出的同位素效应主要归因于同位素质量的差别. 相似文献
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Analysis of dynamical properties for the two-site Bose Hubbard model with an algebraic method 下载免费PDF全文
In this work, we propose an algebraic recursion method to study the dynamical evolution of the two-site Bose- Hubbard model. We analyze its properties from the viewpoints of single partite purity, energy, and trace distance, in which the model is considered as a typical bipartite system. The analytical expressions for the quantities are derived. We show that the purity can well reflect the transition between different regimes for the system. In addition, we demonstrate that the transition from the delocalization regime to the self-trapping regime with the ratio r/increasing not only happens for an initially local state but also for any initial states. Furthermore, we confirm that the dynamics of the system presents a periodicity for η = 0 and the period is tc =π/2J when the initial state is symmetric. 相似文献
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使用二次非谐振子模型和Magnus近似方法构造了在强激光场下线型三原子分子的振动哈密顿并推导出时间演化算符的代数形式,在此基础上研究了线型DCN分子的跃迁几率随外场的频率和强度的变化关系,表明了多光子跃迁谱的特点. 相似文献
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用解析代数方法研究了分子转动和激光脉冲对双原子分子多光子激发控制的影响并推导得到不同转动通道下的分子振动激发几率的解析表达式.为了考察转动能级和考虑分子转动后与激光场夹角的变化对分子多光子振动激发和振动激发控制的影响,我们计算并比较了分子纯振动和加入分子转动两种情况,并分别给出了分子与极化激光场在不同取向角下三光子选择激发的图像.研究发现分子的转动能级对多光子非共振激发有修正作用,但是分子转动会降低多光子激发的选择性,而选择合适的激光脉冲形状有利于目标多光子激发控制的实现.文中还进一步讨论了激光脉冲初相位对分子多光子激发控制的影响,发现脉冲初相位对多光子激发过程有明显的调制作用. 相似文献
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Dynamical correlation between quantum entanglement and intramolecular energy in molecular vibrations:An algebraic approach 下载免费PDF全文
The dynamical correlation between quantum entanglement and intramolecular energy in realistic molecular vibrations is explored using the Lie algebraic approach. The explicit expression of entanglement measurement can be achieved using algebraic operations. The common and different characteristics of dynamical entanglement in different molecular vibrations are also provided. The dynamical study of quantum entanglement and intramolecular energy in small molecular vibrations can be helpful for controlling the entanglement and further understanding the intramolecular dynamics. 相似文献
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