Local control of multidimensional dynamics.
Local control of multidimensional dynamics.
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DOI：
10.1039/c003768k
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发表时间：
2010-11
期刊：
影响因子：
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通讯作者：
Thomas J Penfold;Graham A Worth;Christoph Meier
中科院分区：
文献类型：
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作者：
Thomas J Penfold;Graham A Worth;Christoph Meier
自从激光在足够快的时间尺度上运行以跟随核运动以来，化学反应的控制一直是研究人员的目标。从那时起，已经开发了许多方案，每一个方案在选定的系统中都证明是成功的。本文介绍了局部控制理论与多组态时变Hartree量子动力学算法结合的结果，旨在有效地设计多原子系统的控制脉冲。提出并讨论了环丁二烯和吡嗪的多维模型控制。这些结果代表了进一步研究的起点，显示了使用这种方法控制化学反应的明显优势。
The control of chemical reactions has been a target for researchers since the development of lasers which operated on a timescale fast enough to follow nuclear motion. Since then a number of schemes have been developed, each proving successful in a selection of systems. In this paper we present results obtained following the implementation of local control theory together with the multi-configuration time dependent Hartree quantum dynamics algorithm, aiming to efficiently design control pulses for polyatomic systems. Control of multidimensional models of cyclobutadiene and pyrazine are presented and discussed. These results represent a starting point for further studies, showing the distinct advantages of using this approach for controlling chemical reactions.