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用相对论的自洽场方法计算了Y等六个过渡元素原子的x射线能量,并与实验数据作了比较,结果表明在计算中用过渡态概念并且考虑slater交换势的修正能明显地改善计算结果,这样处理可使x射线的计算能量值与实验值在6/1000的精度内符合。
The X-ray energies of six transition elements such as Y were calculated using the self-consistent field method of relativity and compared with the experimental data. The results show that using the concept of transition state in the calculation and considering the slater exchange can significantly improve the calculation As a result, this treatment allowed the computed x-ray energy to agree with the experimental value within 6/1000.