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arXiv 2302.07095physics.atom-phquant-ph
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X射线脉冲驱动下开壳层分子的条纹单电离

Streaking single-electron ionization in open-shell molecules driven by X-ray pulses

M. E. Mountney, T. C. Driver, A. Marinelli, M. F. Kling, J. P. Cryan, A. Emmanouilidou

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12 pages, 7 figures
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AI总结：

本文在Hartree-Fock框架下计算开壳层分子连续态波函数及偶极矩阵元，利用线偏振X射线脉冲引发电离后，通过圆偏振红外脉冲控制电子动力学，实现了对电离电子逃逸角度的调控并分析了动量分布特征。

摘要：

我们在Hartree-Fock框架下获得了开壳层分子的连续态分子波函数。在此过程中，我们考虑了分子离子的单重态或三重态总自旋对称性，即开壳层轨道与电子发生电离的初始轨道的自旋对称性。利用这些连续态波函数，我们计算了由于线偏振X射线脉冲的单光子吸收而发生电离的芯电子的偶极矩阵元。在X射线脉冲引发电离后，我们利用圆偏振红外（IR）脉冲来控制或条纹化电子动力学。对于高强度IR脉冲以及接近1σ或2σ轨道电离阈值的X射线脉冲光子能量，我们通过改变X射线与IR脉冲之间的相位延迟，实现了对电离电子逃逸角度的控制。对于低强度IR脉冲，我们获得了IR脉冲偏振平面上的最终电子动量分布，并发现这些分布的许多特征与仅由X射线脉冲导致的电子逃逸角分布图样相对应。

英文摘要：

We obtain continuum molecular wavefunctions for open-shell molecules in the Hartree-Fock framework. We do so while accounting for the singlet or triplet total spin symmetry of the molecular ion, that is, of the open-shell orbital and the initial orbital where the electron ionizes from. Using these continuum wavefunctions, we obtain the dipole matrix elements for a core electron that ionizes due to single-photon absorption by a linearly polarized X-ray pulse. After ionization from the X-ray pulse, we control or streak the electron dynamics using a circularly polarized infrared (IR) pulse. For a high intensity IR pulse and photon energies of the X-ray pulse close to the ionization threshold of the $1σ$ or $2σ$ orbitals, we achieve control of the angle of escape of the ionizing electron by varying the phase delay between the X-ray and IR pulses. For a low intensity IR pulse, we obtain final electron momenta distributions on the plane of the IR pulse and we find that many features of these distributions correspond to the angular patterns of electron escape solely due to the X-ray pulse.

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