H$lt;sub$gt;2$lt;/sub$gt;$lt;sup$gt;+$lt;/sup$gt;在强激光场中的解离及其量子调控的理论研究

利用非波恩-奥本海默近似的三维含时量子波包法，理论研究了氢分子离子在强激光场中的解离动力学.通过分析H₂⁺在不同的初始振动态（ν=0–9）和激光场强度下的解离核动能谱，得到了H₂⁺的光解离机理及其随激光场的变化规律.研究结果表明：当激光场的强度I₁=5.0×10¹³ W/cm²时，分子的解离来源于高振动态ν=5–9，其解离机理主要是通过键软化、键硬化和阈下解离过程.当激光场的强度I₂=1.0×10¹⁴ W/cm² 时，H₂⁺在低振动态ν=3–4上的阈上解离起主导作用，而高振动态的键软化、键硬化和阈下解离所占的比重明显地下降了.研究结果为后续的量子调控的实验研究提供了科学的理论预测和指导. 关键词： 光解离 氢分子离子 含时波包法 核动能谱

Theoretical study of the disso ciation of H+2 and the quantum control of dynamic pro cess by an intense laser field

The dissociation dynamics of hydrogen molecular ions in intense fields has been investigated by using an accurate three-dimensional (3D) time-dependent wave packet approach. Its dissociation mechanism and intensity dependence can be studied by analyzing the dissociation probability and kinetic energy resolved (KER) spectra of H₂⁺. It is found that the dissociation of H₂⁺ comes from ν=5–9 states at the laser intensity of I₁= 5.0×10¹³ W/cm². The dissociation process includes bond softening (BS), bond hardening (BH), and below threshold dissociation (BTD). As the laser intensity increases to I₂=1.0×10¹⁴ W/cm², the above threshold dissociation (ATD) from ν=3 and 4 states is predominant, and the contributions from the bond softening and bond hardening are reduced during the dissociation process. The above conclusions may provide scientific prediction and theoretical guidance for the experiment in the future.
Keywords： photodissociation hydrogen molecular ion time-dependent wave packet method kinetic energy resolved spectra