Irani E, Anvari A, Sadighi-Bonabi R, Monfared M
Department of Physics, Sharif University of Technology, P.O. Box 11365-9567, Tehran, Iran; Department of Physics, Faculty of Basic Sciences, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran.
Department of Physics, Sharif University of Technology, P.O. Box 11365-9567, Tehran, Iran.
Spectrochim Acta A Mol Biomol Spectrosc. 2017 Oct 5;185:298-303. doi: 10.1016/j.saa.2017.05.063. Epub 2017 May 31.
The multielectron dissociative ionization of CH and CHO molecules has been investigated using optimum convolution of different dual tailored short laser pulses. Based on three dimensional molecular dynamics simulations and TDDFT approach, the dissociation probability is enhanced by designing the dual chirped-chirped laser pulses and chirped-ordinary laser pulses for formaldehyde molecule. However, it is interesting to notice that the sensitivity of enhanced dissociation probability into different tailored laser pulses is not significant for methane molecule. In this presented modifications, time variation of bond length, velocity, time dependent electron localization function and evolution of the efficient occupation states are presented to analyze the time evolution of molecular dynamics. This work is proved to be a potential way to reduce the controlling costs with a currently available pulse shaping technology.
利用不同双啁啾短激光脉冲的最佳卷积研究了CH和CHO分子的多电子解离电离。基于三维分子动力学模拟和含时密度泛函理论方法，通过为甲醛分子设计双啁啾-啁啾激光脉冲和啁啾-普通激光脉冲提高了解离概率。然而，有趣的是，甲烷分子对不同定制激光脉冲提高解离概率的敏感性并不显著。在本研究的改进中，给出了键长、速度的时间变化、含时电子局域函数以及有效占据态的演化，以分析分子动力学的时间演化。事实证明，这项工作是一种利用现有脉冲整形技术降低控制成本的潜在方法。
