Ionization dynamics of C2H2 in intense laser fields: Time-dependent Hartree-Fock approach

作     者：Shi-Lin Hu Zeng-Xiu Zhao Jing Chen Ting-Yun Shi 

作者机构：Institute of Applied Physics and computational Mathematics P.O. Box 8009 Beijing 100088 China State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Wuhan Institute of Physics and Mathematics Chinese Academy of Sciences Wuhan 430071 China Department of Physics National University of Defense Technology Changsha 410073 China HEDPS Center for Applied Physics and Technology Peking University Beijing 100084 China 

出 版 物：《Physical Review A》 (物理学评论A辑：原子、分子和光学物理学)

年 卷 期：2015年第92卷第5期

页      面：053409-053409页

核心收录：

学科分类：070207[理学-光学] 07[理学] 08[工学] 0803[工学-光学工程] 0702[理学-物理学] 

基　　金：National Basic Research Program of China [2013CB922200, 2011CB808102] National Natural Science Foundation of China [11274348, 11374366, 11274050, 11334009, 11425414] China Postdoctoral Science Foundation [2014M560921] 

主　　题：RESEARCH Finite element method Energy gaps (Physics) Electrons Hartree-Fock approximation Molecular orbitals 

摘      要：We investigate the multielectron ionization dynamics of C2H2 subjected to intense few-cycle laser fields with the time-dependent Hartree-Fock approach, in which one-center method is employed with the finite-element discrete-variable representation and B-spline functions. It is found that, when the photon energy is close to the energy gap between the two inner orbitals, an inner-orbital single-photon resonant transition phenomenon occurs and plays an important role in the ionization process of the molecule. Furthermore, the ionization of inner electrons surpasses that of the electrons in the highest occupied molecular orbital (HOMO) at high laser intensities, which may be attributed to the effect of the spatial distributions of molecular orbitals. Moreover, this phenomenon will be enhanced by a reduction of the screen for electrons in the HOMO due to the ionization of inner electrons.