论文标题
扰动理论与构型相互作用方法的结合
Combination of the Perturbation Theory with Configuration Interaction Method
论文作者
论文摘要
当前的原子理论为具有少数价电子的原子提供了准确可靠的结果。但是，当价电子数量超过四个或五个时，大多数当前计算方法都会失败。这意味着我们无法在元素周期表的一半以上做出可靠的预测。在这里，我们建议修改CI+MBPT（配置相互作用以及多体扰动理论）方法，该方法可能适用于带有填充D和F壳的原子和离子。
Present atomic theory provides accurate and reliable results for atoms with a small number of valence electrons. However, most current methods of calculations fail when the number of valence electrons exceeds four or five. This means that we can not make reliable predictions for more than a half of the periodic table. Here we suggest a modification of the CI+MBPT (configuration interaction plus many-body perturbation theory) method, which may be applicable to atoms and ions with filling d and f shells.
