Dynamics of molecules of multiple electronic properties in laser fields and their control

我们利用建立的时间依赖绝热态方法研究了分子与近红外强激光脉冲相互作用的动力学。C60的结果表明，振动激励的模式选择性可以通过脉冲序列来实现，即通过改变脉冲之间的间隔。时间相关的多组态理论也被用来研究分子的多电子（电离）动力学。我们已经证明核振动与π电子的环电流是非绝热耦合的。

We investigated the dynamics of molecules interacting with near-infrared intense laser pulses by using the time-dependent adiabatic state approach developed. The results for C60 indicate that the mode selectivity of vibrational excitation can be achieved by a pulse train, i.e., by changing the intervals between pulses. Time-dependent multiconfiguration theory is also developed to investigate the multielectron (ionization) dynamics of molecules. We have demonstrated that nuclear vibration is nonadiabatically coupled to the ring current of π electrons.