He,Ne,Ar,Kr和Xe原子电子的动量密度分布研究

对He,Ne,Ar,Kr和Xe原子体系中电子在动量空间的性质进行了系统的理论计算研究.采用自洽场HFR方法计算了坐标空间He,Ne,Kr和Xe原子体系单电子径向波函数,动量空间的单电子波函数由坐标空间原子体系单电子径向波函数通过运用傅立叶变换计算得到.在冲量近似条件下,进一步计算研究了这些原子的单电子动量密度分布和原子体系总的Compton轮廓.计算结果与已有的实验实验值和其他文献的理论计算结果比较表明,本文计算的结果是准确的.

Electron momentum density distribution for He,Ne,Ar,Kr and Xe

The properties of momentum distribution in neutral atom He, Ne, Ar, Kr and Xe are studied in this paper under the condition of impulse approximation. In particular, we have calculated the single-electron momentum density distribution of all sub-shell electrons and the Compton profile for ground-configurations 1s2, 1s22s22p6, 1s22s22p63s23p6, 1s22s22p63s23p64s23d104p6, 1s22s22p63s23p64s23d104p65s24d105p6 of He,Ne,Ar, Kr and Xe, respectively. The single-electron radial wave functions in coordinate space are obtained from Hartree-Fock with relativistic Corrections (HFR) method. And, the associated momentum space wave functions are calculated by applying appropriate Fourier transformation. The results of Compton profile computed in this paper are in excellent agreement with the experimental or theoretical values available in the literature. It is expected that this study are helpful for interpreting the experimental cross-sections for above atom colliding with other excited ions.