轨道电子的三重动量相关:氖原子的从头计算

Triple-Momentum-Correlation of Orbital Electrons:Ab Initio Experiment on Ne Atom

通过求解密度泛函理论中的含时科恩-沈(TDKS)方程,对Ne原子光电离过程进行了数值模拟,发现了在高强度极紫外(XUV)激光脉冲作用下的三重动量相关(TMC)现象。计算结果显示了不同轨道电子具有不同电离特性,发现对于高强度XUV激光脉冲,Ne原子p轨道电子的电离主要发生在沿着轨道纵向的方向上。通过计算各轨道电子的动量分量,发现轨道电子的平行动量相互关联,垂直动量也相互关联,但平行动量和垂直动量之间并不关联。这些相互关联的关系可以由轨道形状、轨道朝向和激光偏振来解释。模拟结果显示了内层轨道电子也可以发生显著电离现象。

By deploying the time-dependent Kohn-Sham （TDKS） scheme of the density functional theory, numerical simulations are performed on the photoionization of Ne atom and a triple-momentum-correlation （TMC） affected by intense extreme ultra-violet （XUV） laser pulses is found. The simulation results show the different characteristics of ionization from different orbital electrons. For strong XUV laser intensity, ionization undergoes mainly along the orbital direction （longitudinal direction） for the p-type orbits in Ne atom. By simulating the momenta components of different orbital electrons, it is unveiled that the parallel momenta of the orbital electrons are mutually correlated, and the perpendicular momenta are also mutually correlated, but not between them. These correlation relations are deciphered in the interplay between the orbital geometry, orbital orientation and laser polarization. The simulation results also show a profound ionization of the inner orbital electrons.