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Precise description of single and double ionization of hydrogen molecule in intense laser pulses

机译:精确描述强激光脉冲中氢分子的单电离和双电离

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A new simulation box setup is introduced for the precise description of the wavepacket evolution of two electronic systems in intense laser pulses. In this box, the regions of the hydrogen molecule H_2, and singly and doubly ionized species, H_2~+ and H_2~(+2) 2, are well discernible and their time-dependent populations are calculated at different laser field intensities. In addition, some new regions are introduced and characterized as quasi-double ionization and their time-dependencies on the laser field intensity are calculated and analyzed. The adopted simulation box setup is special in that it assures proper evaluation of the second ionization. In this study, the dynamics of the electrons and nuclei of the hydrogen molecule are separated based on the adiabatic approximation. The time-dependent Schr?dinger and Newton equations are solved simultaneously for the electrons and the nuclei, respectively. Laser pulses of 390 nm wavelength at four different intensities (i.e., 1 × 10~(14), 5 × 10~(14), 1 × 10~(15), and 5 × 10~(15) W cm~(?2)) are used in these simulations. Details of the central H_2 region are also presented and discussed. This region is divided into four sub-regions related to the ionic state H~+H~? and covalent (natural) state HH. The effect of the motion of nuclei on the enhanced ionization is discussed. Finally, some different time-dependent properties are calculated, their dependencies on the intensity of the laser pulse are studied, and their correlations with the populations of different regions are analyzed.
机译:引入了新的模拟盒设置,以精确描述两个电子系统在强激光脉冲下的波包演化。在此框中,可以很好地识别氢分子H_2的区域以及单电离和双电离的物质H_2〜+和H_2〜(+2)2的区域,并在不同的激光场强度下计算其随时间变化的总体。此外,引入了一些新的区域,并将其表征为准双电离,并计算和分析了它们对激光场强度的时间依赖性。采用的模拟盒设置特别之处在于它可以确保正确评估第二次电离。在这项研究中,基于绝热近似将氢分子的电子和原子核动力学分开。分别针对电子和原子核同时求解了与时间有关的薛定ding方程和牛顿方程。 390 nm波长的激光脉冲在四个不同的强度下(即1×10〜(14),5×10〜(14),1×10〜(15)和5×10〜(15)W cm〜(? 2))用于这些模拟中。中心H_2区域的详细信息也将介绍和讨论。该区域分为与离子态H〜+ H〜?有关的四个子区域。和共价(天然)状态HH。讨论了原子核运动对增强电离的影响。最后,计算了一些不同的随时间变化的特性,研究了它们对激光脉冲强度的依赖关系,并分析了它们与不同区域的种群之间的相关性。

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