Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory.
Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory.
复制标题
激光诱导电子动力学，包括光电离：时间相关构型相互作用理论中的启发式模型。
DOI：
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发表时间：
2009
影响因子：
4.4
通讯作者：
T. Klamroth
中科院分区：
文献类型：
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作者：
Stefan Klinkusch;P. Saalfrank;T. Klamroth
我们报告模拟的激光脉冲驱动的多电子动力学通过一个简单的，启发式的扩展的时间依赖组态相互作用单（TD-CIS）的方法。扩展允许治疗的电离状态的非稳态与有限的，能量依赖的寿命占阈值以上的电离损失在激光驱动的多电子动力学。扩展的TD-CIS方法适用于以下具体的例子：（i）在LiCN分子中对应于分子内电荷转移的状态到状态的转变，（ii）在LiCN中产生电子波包，包括通过泵浦-探测光谱进行波包分析，最后，（iii）电离对H（2）的动态极化率的影响，当通过TD-CIS非微扰计算时。
We report simulations of laser-pulse driven many-electron dynamics by means of a simple, heuristic extension of the time-dependent configuration interaction singles (TD-CIS) approach. The extension allows for the treatment of ionizing states as nonstationary states with a finite, energy-dependent lifetime to account for above-threshold ionization losses in laser-driven many-electron dynamics. The extended TD-CIS method is applied to the following specific examples: (i) state-to-state transitions in the LiCN molecule which correspond to intramolecular charge transfer, (ii) creation of electronic wave packets in LiCN including wave packet analysis by pump-probe spectroscopy, and, finally, (iii) the effect of ionization on the dynamic polarizability of H(2) when calculated nonperturbatively by TD-CIS.