中国物理B ›› 2020, Vol. 29 ›› Issue (11): 113202-.doi: 10.1088/1674-1056/abb3de

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Ji-Gen Chen(陈基根)1, Gang-Tai Zhang(张刚台)2, Ting-Ting Bai(白婷婷)3, Jun Wang(王俊)4,†(), Ping-Ping Chen(陈平平)5,‡(), Wei-Wei Yu(于伟威)6,§, Xi Zhao(赵曦)7,8,9,¶   

  • 收稿日期:2020-02-19 修回日期:2020-08-19 接受日期:2020-09-01 出版日期:2020-11-05 发布日期:2020-11-03

Nonadiabatic molecular dynamics simulation of ${{\rm{C}}}_{2}{{\rm{H}}}_{2}^{2+}$ in a strong laser field

Ji-Gen Chen(陈基根)1, Gang-Tai Zhang(张刚台)2, Ting-Ting Bai(白婷婷)3, Jun Wang(王俊)4, †, Ping-Ping Chen(陈平平)5,, ‡, Wei-Wei Yu(于伟威)6,§, and Xi Zhao(赵曦)7,8,9,¶   

  1. 1 Zhejiang Provincial Key Laboratory for Cutting Tools, Taizhou University, Taizhou 225300, China
    2 College of Physics and Optoelectronics Technology, Baoji University of Arts and Sciences, Baoji 721016, China
    3 College of Mathematics and Information Science, Baoji University of Arts and Sciences, Baoji 721013, China
    4 Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China
    5 Industrial and Manufacturing Systems Engineering, Kansas State University, Manhattan, KS 66506, USA
    6 School of Physics and Electronic Technology, Liaoning Normal University, Dalian 116029, China
    7 School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062, China
    8 School of Physics and Electronics, Qiannan Normal College For Nationalities, Guizhou Province, Duyun 558000, China
    9 Department of Physics, Kansas State University, Manhattan, KS 66506, USA
  • Received:2020-02-19 Revised:2020-08-19 Accepted:2020-09-01 Online:2020-11-05 Published:2020-11-03
  • Contact: †Corresponding author. E-mail: wangjun86@jlu.edu.cn ‡Corresponding author. E-mail: pingpingchen@ksu.edu §Corresponding author. E-mail: weiweiyu2012@163.com Corresponding author. E-mail: zhaoxi719@ksu.com
  • Supported by:
    Xi Zhao was supported by Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy (Grant No. DE-FG02-86ER13491), the National Natural Science Foundation of China (Grant No. 11904192); Ji-Gen Chen was supported by the National Natural Science Foundation of China (Grant No. 11975012); Gang-Tai Zhang was supported by the Natural Science Basic Research Plan of Shaanxi Province, China (Grant No. 2016JM1012), the Natural Science Foundation of the Educational Department of Shaanxi Province, China (Grant No. 18JK0050), the Science Foundation of Baoji University of Arts and Sciences of China (Grant No. ZK16069); Jun Wang was supported by the National Natural Science Foundation of China (Grant Nos. 11604119 and 11627807); and Wei-Wei Yu was supported by the National Natural Science Foundation of China (Grant No. 11604131).

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Abstract:

We investigate the alignment dependence of the strong laser dissociation dynamics of molecule ${{\rm{C}}}_{2}{{\rm{H}}}_{2}^{2+}$ in the frame of real-time and real-space time-dependent density function theory coupled with nonadiabatic quantum molecular dynamics (TDDFT-MD) simulation. This work is based on a recent experiment study “ultrafast electron diffraction imaging of bond breaking in di-ionized acetylene” [Wolter et al, Science 354, 308–312 (2016)]. Our simulations are in excellent agreement with the experimental data and the analysis confirms that the alignment dependence of the proton dissociation dynamics comes from the electron response of the driving laser pulse. Our results validate the ability of the TDDFT-MD method to reveal the underlying mechanism of experimentally observed and control molecular dissociation dynamics.

Key words: strong field physics, molecular dynamics, TDDFT, attosecond science, ultra fast optics