摘要
用微扰法计算相关能,是一种在物理概念上十分明确,计算结果上又比较理想的方法,本文应用Lindgren和Martensson于1980年提出的计算方法,选取Haree-Fock-Slater势函数为基计算了硼离子基态的相关能,结果发现计算到二阶的相关能可达到实验值的80.3％,但在高阶情形出现了逆转,我们就这一点进行了讨论,并根据数据进一步分析了微扰机制对相关能的影响。
Using many-body perturbation theory to calculate the atomic correlation energy is very explicit in physical concepts and quilt ideal in results. In this thesis, we have used tthe numerical method which Lindgten-MartenSson mentioned in 1980, but take Hartree-Fock-Slater model as zeroth-order approximation to calculate the ground state correlation energy of Boron ion (B+). The calculation results exhibit that the second-order correlation energy can reach 80.3 persent of the experimental values. But the higher order result is lower than the second order one.we discusssed this unusal reverse result and gave a further analysis about effection of correlation energy by diffrent perturbation mechanism.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
1991年第4期2047-2055,共9页
Journal of Atomic and Molecular Physics
