标题： 在Stark减速的非均匀电场中控制极性分子的振转态布居：分子动力学和量子化学模拟 显示英文标题

标题： Controlling rovibrational state populations of polar molecules in inhomogeneous electric fields of the Stark deceleration: molecular dynamics and quantum chemistry simulations

摘要： 我们提出了一种改进的Stark啁啾快速绝热通道技术，用于在存在某些非均匀电场的情况下，在气相分子中实现稳健的转动态布居转移。 作为一个应用实例，新的状态切换方案被证明能够极大地增强在Stark减速器中减缓极性氨分子的过程。 高水平的量子力学模拟表明，可以几乎完全实现NH$_3$的选定弱场和强场寻找态之间的布居反转。 Stark减速器中的强直流电场被用作转动态布居转移协议的一部分。 对于氨的经典动力学模拟显示，升级了状态切换的Stark减速器在纵向相空间接受度方面有显著改善，并且与标准的Stark减速技术相比，减速效率也有所提高。 显示英文摘要

摘要： We propose a modified Stark-chirped rapid adiabatic passage technique for a robust rovibrational population transfer in the gas phase molecules in the presence of certain inhomogeneous electric fields. As an example application, the new state switching scheme is shown to greatly enhance the process of slowing polar ammonia molecules in the Stark decelerator. High-level quantum mechanical simulations show that a virtually complete population inversion between a selected pair of weak-field and strong-field seeking states of NH$_3$ can be achieved. Strong dc electric fields within the Stark decelerator are used as part of the rovibrational population transfer protocol. Classical-dynamics simulations for ammonia demonstrate notable improvements in the longitudinal phase space acceptance of the Stark decelerator upgraded with the state switching and an increased deceleration efficiency with respect to the standard Stark deceleration technique.