在强激光场中,多电子动态,极化和一氧化碳分子和分子离子的Stark转移在强激光场中
Evan C Jones1, Cara McDonald1, Jimmy Williams1
1Department of Physics and Astronomy University of Delaware, Newark, Delaware 19716, USA.
The Journal of chemical physics
|July 22, 2025
概括
强大的激光场驱动一氧化碳 (CO) 和其离子的电离. 一个全电子计算准确地模拟了电子行为,揭示了核心电子极化效应.
科学领域:
- 原子和分子物理 原子和分子物理
- 量子化学 是一个量子化学.
- 强场物理 强场物理
背景情况:
- 在激烈的激光场中了解分子电离动力学对于控制化学反应和探测分子结构至关重要.
- 以前的模型经常简化了电子相互作用,忽视了核心电子的贡献.
研究的目的:
- 在超快,强激光场中量化CO,CO+和CO2+的电离产量.
- 将实验结果与理论计算进行比较,包括全电子方法.
- 为了研究电子波函数极化和强电场电离中的斯塔克转移的作用.
主要方法:
- 对电离的实验测量结果在强度范围为10^14到10^17W cm^-2.
- 理论计算使用传统的无场方法和单个活性电子近似.
- 一个全电子的Hartree-Fock计算来建模CO与激光场的相互作用.
主要成果:
- 强度依赖的离子化产量被量化为八个数量级.
- 观察到顺序和非顺序 (e, 2e) 电离过程.
- 全电子哈特里-福克计算准确地重现了实验产量,包括核心电子的极化性.
结论:
- 精确建模强场分子电离需要考虑所有电子,而不仅仅是价值电子.
- 核心电子极化性显著影响强激光场中的CO等分子的电离动力学.
- 这项研究验证了先进的计算方法来预测分子对强烈激光场的反应.
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