Nonadiabatic molecular dynamics simulation of C2H^2+2 in a strong laser field  

作　　者：Ji-Gen Chen Gang-Tai Zhang Ting-Ting Bai Jun Wang Ping-Ping Chen Wei-Wei Yu Xi Zhao 陈基根;张刚台;白婷婷;王俊;陈平平;于伟威;赵曦(Zhejiang Provincial Key Laboratory for Cutting Tools,Taizhou University,Taizhou 225300,China;College of Physics and Optoelectronics Technology,Baoji University of Arts and Sciences,Baoji 721016,China;College of Mathematics and Information Science,Baoji University of Arts and Sciences,Baoji 721013,China;Institute of Atomic and Molecular Physics,Jilin University,Changchun 130012,China;Industrial and Manufacturing Systems Engineering,Kansas State University,Manhattan,KS 66506,USA;School of Physics and Electronic Technology,Liaoning Normal University,Dalian 116029,China;School of Physics and Information Technology,Shaanxi Normal University,Xi’an 710062,China;School of Physics and Electronics,Qiannan Normal College For Nationalities,Guizhou Province,Duyun 558000,China;Department of Physics,Kansas State University,Manhattan,KS 66506,USA)

机构地区：[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

出　　处：《Chinese Physics B》2020年第11期303-307,共5页中国物理B（英文版）

基　　金：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);supported by the National Natural Science Foundation of China (Grant No. 11975012);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);supported by the National Natural Science Foundation of China (Grant Nos. 11604119 and 11627807);supported by the National Natural Science Foundation of China (Grant No. 11604131)

摘　　要：We investigate the alignment dependence of the strong laser dissociation dynamics of molecule C2H2^2+ 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 354,308-3 12(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.

关 键 词：strong field physics molecular dynamics TDDFT attosecond science ultra fast optics 

分 类 号：TN24[电子电信—物理电子学]