Development of new method for observing molecular dynamics utilizing quantum entanglement

本文提出了一种求解最优控制问题的广义算法。新的模拟算法已被应用于分子内纠缠态的产生和控制，这使我们能够发展新的光谱方法，对分子波函数的高精度相干控制是产生和控制特定的分子内纠缠态的必要条件。为此，已经开发了闭环（最优控制）实验。我们已经应用了它的理论对应，最优控制理论，有代表性的例子，其中包括非绝热过渡引起的锥形交叉，和吸附分子的影响下的强耗散。后者可以看作是量子器件的模型系统，量子纠缠在量子信息处理中起着重要的作用。我们把量子计算和光谱学方法结合起来。也就是说，典型的量子门（CNOT，量子傅立叶变换）实现分子自由度已被证明是由一个新设计的量子干涉仪检测。我们还表明，由几何相位效应引起的光碎裂产物可以用来有效地检测分子内纠缠态。

We have developed a generalized algorithm for solving optimal control problems. The new simulation algorithm has been applied to the creation and control of intramolecular entangled state, which enabled us to develop novel spectroscopic procedures.Coherent control of a molecular wave function with extreme precision is essential to create and control a specified intramolecular entangled state. For this purpose, a closed-loop (optimal control) experiment has already developed. We have applied its theoretical counterpart, optimal control theory, to representative examples, which include non-adiabatic transitions induced by a conical intersection, and adsorbed molecules under the influence of strong dissipation. The latter could be regarded as a model system of quantum devices.Quantum entanglement plays an essential role in quantum information processing. We combined quantum computation with a spectroscopic method. That is, typical quantum gates (CNOT, quantum Fourier transform) implemented in molecular degrees of freedom has been shown to be detected by a newly designed quantum interferometer. We have also shown that photo-fragmentation products induced by geometric phase effects can be used to efficiently detect intramolecular entangled states.