中性硅3s23p23P2,1D2→3s3p33Do3跃迁能量,超精细结构常数与同位素移动的MCDHF计算

摘要

The multiconfiguration Dirac-Hartree-Fock method has been employed to investigate the 3s2 3p23P2,1D2→ 3s3p33Do3 transitions and the magnetic dipole hyperfine structure constant A of the 3s2 3p2 3P2 ,3s23p21D2, 3s3p3 3 Do3 states for 29Si. By comparing the results calculated with different atomic configuration state functions with the experimental values, we presume the electronic active property for the configurations 3s23p2, 3s3p3 of neutral Si. We also calculate the isotope shifts (relative to 28Si) of the 3s2 3p2 3P2→3s3p3 3 Do3 cycling transition for isotope 29Si, 30Si and 31Si.%本文使用多组态Dirac- Hartree-Fock方法计算了29Si的3s23p23P2,1D2→ 3s3p33Do3跃迁能量和3P2,3Do3超精细结构A常数以及Si同位素29Si,30Si和31Si相对于28Si在3s23p23P2→3s3p33Do3跃迁的同位素移动.通过尝试双电子激发(SD)和三电子激发(SDT),分别考虑VV相关,CV相关和CC相关产生各种不同的扩展组态波函数得到的计算结果和实验值的比较,推测了对于中性硅原子这两个组态,内壳层2p2s,1s电子活动到外壳层的概率较小,而3s3p壳层中的电子都比较活跃,但主要是在n=3,4的壳层内活动,活动到更高n壳层的概率则比较小.