摘要
本文用局域的X_α势产生的单电子函数集作为基集合,用多体微扰理论中的图示技术方法,计算了基态铍原子中各电子对的交换——关联能,结果与实验值比较,相对误差小于3％,这表明用X_α势产生的单电子函数集作为多体计算的基集合是完全可行的。
In this article, the set of the single electron functions that are produced by the local Xa potential of the Beryllium atom's ground state is taken as the basis set of the many-body calculations. The exchange-correlation of each pair of electrons in the Beryllium atom's ground state is calculated using the diagramatic technical method in the many-body theory. Comparing the total exchange-correlation with the non-relativistic experimental value, the percent is lower than 3%. This indicates it is passible to take the set of the single electron functions of Xa potential as the basis set of the many-body calculations.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
1992年第3期2393-2398,共6页
Journal of Atomic and Molecular Physics
