【摘要】 构造精确的原子态波函数是原子结构研究的基础和前提。本文根据活动空间方法扩大组态波函数数目,充分考虑了电子的关联效应,并基于MCDF方法,计算分析了原子态基态波函数的CSF数目对类铍元素基态能级的影响及规律。结果表明,当200<CSF数目<700时,可得到比较精确的原子态波函数。更多还原

【Abstract】 The construction of an accurate atomic wave function is the basis and prerequisite in atomic structure study.According to the method of active space and increasing the number of configuration wave function,the effect and rule of the number of the atomic state ground wave function on the ground energy level of Be-like elements are calculated and analyzed in this paper using MCDF method and considering the electron correlation effect.The result shows that a more accurate atomic state wave function can be got when the CSF number is between 200 and 700.更多还原