Nakagami Kazuyuki, Mizumoto Yoshihiko, Ohtsuki Yukiyoshi
Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan.
J Chem Phys. 2008 Nov 21;129(19):194103. doi: 10.1063/1.3010369.
Alignment control of an ensemble of nonpolar molecules is numerically studied by means of optimal control simulation. A nitrogen molecule that is modeled by a quantum rigid rotor is adopted. Controlled rotational wave packets are created through nonresonant optical transitions induced by polarizability coupling. Optimal pulses are designed to achieve the alignment control at a specified time in the absence/presence of external static fields in zero- and finite-temperature cases, as well as to maintain an aligned state. When maintaining an aligned state over a specified time interval is chosen as a target, the control mechanism is primarily attributed to a dynamical one. Multiple optimal solutions that lead to virtually the same control achievement are found, which are consistent with the topology of the quantum control landscape.
通过最优控制模拟对非极性分子系综的取向控制进行了数值研究。采用了由量子刚性转子建模的氮分子。通过极化率耦合诱导的非共振光学跃迁产生受控旋转波包。设计最优脉冲，以便在零温度和有限温度情况下，在不存在/存在外部静态场的情况下，在指定时间实现取向控制，并维持取向状态。当选择在指定时间间隔内维持取向状态作为目标时，控制机制主要归因于动力学机制。发现了多个导致几乎相同控制结果的最优解，这与量子控制景观的拓扑结构一致。
