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Time-dependent quantum wave packet simulation for strong laser-induced molecular dynamics in multiple electronic states of H2 molecules 认领 引用
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作者 Jin-Peng Ma Xiao-Qing Hu +1 位作者 Yong Wu Jian-Guo Wang 《Chinese Physics B》 SCIE EI CAS CSCD 2025年第10期149-157,共9页
We present a fully time-dependent quantum wave packet evolution method for investigating molecular dynamics in intense laser fields.This approach enables the simultaneous treatment of interactions among multiple elect... We present a fully time-dependent quantum wave packet evolution method for investigating molecular dynamics in intense laser fields.This approach enables the simultaneous treatment of interactions among multiple electronic states while simultaneously tracking their time-dependent electronic,vibrational,and rotational dynamics.As an illustrative example,we consider neutral H2molecules and simulate the laser-induced excitation dynamics of electronic and rotational states in strong laser fields,quantitatively distinguishing the respective contributions of electronic dipole transitions(within the classical-field approximation)and non-resonant Raman processes to the overall molecular dynamics.Furthermore,we precisely evaluate the relative contributions of direct tunneling ionization from the ground state and ionization following electronic excitation in the strong-field ionization of H2.The developed methodology shows strong potential for performing high-precision theoretical simulations of electronic-vibrational-rotational state excitations,ionization,and dissociation dynamics in molecules and their ions under intense laser fields. 展开更多
关键词 time-dependent quantum wave packet evolution method laser-induced excitation dynamics electronic dipole transitions non-resonant Raman processes direct tunneling ionization ionization following electronic excitation
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