The dynamics of N 2 2 + dications after x-ray-induced Auger decay and their probing with a delayed infrared probe pulse are theoretically investigated based on a quantum-mechanical model including all relevant electronic states for which wave-packet calculations on ab-initio potential energy curves are performed. Our results demonstrate that the N 2 2 + yield modulated by the delay of the probe pulse contains dynamical information on the wave-packet evolution in the quasi-bound final electronic states. The Fourier transform of the calculated yield can be readily compared to experimental results [Fung et al., Nature 532, 471 (2016)] and good agreement of the main frequencies is found. Moreover, assignment of these frequencies to specific vibrational energy levels in the quasi-bound potentials is reported as well.

中文翻译：

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N2 分子的时间分辨 X 射线/光学泵浦探针模拟。

基于量子力学模型，理论上研究了 X 射线诱导俄歇衰变后 N 2 2 + 阳离子的动力学及其用延迟红外探测脉冲的探测，该模型包括所有相关电子态，从头开始进行波包计算执行势能曲线。我们的结果表明，由探测脉冲延迟调制的 N 2 2 + 产率包含准束缚最终电子态波包演化的动态信息。计算产量的傅里叶变换可以很容易地与实验结果进行比较 [Fung et al., Nature 532, 471 (2016)]，并且发现主频率具有良好的一致性。此外，还报告了这些频率与准束缚势中特定振动能级的分配。