Development of new method for observing molecular dynamics utilizing quantum entanglement

我们提出了一种求解最优控制问题的广义算法。新的模拟算法已经被应用于分子内纠缠态的产生和控制，这使得我们能够开发出新的光谱方法。对分子波函数的相干控制对于建立和控制特定的分子内纠缠态是必不可少的。为此，已经开发了一个闭环系统(最优控制)实验。我们将其理论对应的最优控制理论应用于典型的例子，包括锥形相交引起的非绝热跃迁和强耗散影响下的吸附分子。后者可以看作是一个量子器件的模型系统。量子纠缠在量子信息处理中起着至关重要的作用。我们将量子计算与光谱方法相结合。也就是说，在分子自由度中实现的典型量子门(CNOT，量子傅立叶变换)已经被证明可以通过新设计的量子干涉仪来检测。我们还表明，几何相位效应产生的光碎裂产物可以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.