【摘要】 Fe原子有着丰富的谱线,其结构和跃迁光谱的研究在天体物理、等离子体物理、同位素分离和软X射线激光等领域中有着重要的指导意义。本文利用Cowan程序计算了Fe原子3d64s2和3d64s4p组态的能级以及3d64s2-3d64s4p的跃迁能和跃迁波长。结果表明:从头计算的3d64s2和3d64s4p组态的能级与NIST推荐值的相对误差是比较大的,分别大于2%和20%;利用最小二乘法对能级和表征电子间相互作用的各个参量进行拟合后,所计算的能级、跃迁能和跃迁波长与NIST推荐值符合很好。本文所描述的最小二乘法拟合方法对于其他原子结构计算具有非常重要的参考价值。更多还原

【Abstract】 The structure and transition spectra of Fe atom are of great significance in astrophysics,plasma physics,isotope separation and soft X-ray laser wth abundant spectral lines. The energy levels of 3 d64 s2 and 3 d64 s4 p configuration of Fe atom are calculated by Cowan program in this paper as well as the transition energies and wavelengths of 3 d64 s2-3 d64 s4 p. The results show that the relative errors between the ab initio calculated energy levels of 3 d64 s2 and 3 d64 s4 p configuration and the values recommended by NIST are 2% and 20% larger respectively. The calculated energy levels,transition energies and transition wavelengths are in good agreement with those values recommended by NIST after fitting the energy levels and the parameters characterizing the interaction between electrons with least square method. The least square fitting method described in this paper has important reference value for other atomic structure calculation.更多还原