电子活动空间对类铍元素基态能级的影响  

Effect of electron active space on the ground energy level of Be-like element

作　　者：郑曙东[1] 田春山[1] 

机构地区：[1]青海大学基础部,青海西宁810016

出　　处：《青海大学学报（自然科学版）》2010年第4期57-59,共3页Journal of Qinghai University(Natural Science)

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。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.

关 键 词：电子 活动空间 组态波函数 基态能 

分 类 号：O562.1[理学—原子与分子物理]