Optimal control of a molecular cis-trans isomerization model
Optimal control of a molecular cis-trans isomerization model
复制标题
分子顺反异构化模型的优化控制
DOI：
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发表时间：
2002
期刊：
影响因子：
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通讯作者：
R. Schmidt
中科院分区：
文献类型：
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作者：
F. Grossmann;L. Feng;G. Schmidt;T. Kunert;R. Schmidt
通过数值求解瞬态薛定谔方程，研究了两个具有 2 个自由度的耦合势能表面上的激光驱动核波包的动力学，模拟了与振动模式相互作用的 C-C 双键的扭转。采用最优控制方案来确定激光场以实现顺反异构化的纳米开关。详细研究了受控异构化过程的基本机制以及最佳激光场的特征及其对优化最终时间的依赖性。
The dynamics of a laser-driven nuclear wave packet on two coupled potential energy surfaces with 2 degrees of freedom, modeling the torsion of a C-C double bond interacting with a vibrational mode, is studied by numerically solving the time-dependent Schrodinger equation. An optimal control scheme is employed to determine the laser field to realize a nano-switch for cis-trans isomerization. The basic mechanism of the controlled isomerization process as well as the features of the optimal laser field and its dependence on the final time chosen for the optimization are studied in detail.