Femtosecond laser pulse control of multidimensional vibrational dynamics: Computational studies on the pyrazine molecule.
Femtosecond laser pulse control of multidimensional vibrational dynamics: Computational studies on the pyrazine molecule.
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DOI：
10.1063/1.2208611
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发表时间：
2006-07
期刊：
影响因子：
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通讯作者：
Luxia Wang;H. Meyer;V. May
中科院分区：
文献类型：
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作者：
Luxia Wang;H. Meyer;V. May
将多组态时变Hartree （MCTDH）方法与最优控制理论（OCT）相结合，研究飞秒激光脉冲的多维振动动力学控制。本文对广受讨论的吡嗪的三电子能级振动耦合模型进行了三或四振动坐标的模拟。因此，OCT首次应用于四坐标系统。研究了不同的控制任务，并分析了OCT-MCTDH方法组合的一些一般方面。
The multiconfiguration time-dependent Hartree (MCTDH) method is combined with the optimal control theory (OCT) to study femtosecond laser pulse control of multidimensional vibrational dynamics. Simulations are presented for the widely discussed three-electronic-level vibronic coupling model of pyrazine either in a three or four vibrational coordinate version. Thus, for the first time OCT is applied to a four-coordinate system. Different control tasks are investigated and also some general aspects of the OCT-MCTDH method combination are analyzed.