二体关联波函数及其对类He离子激发态的应用

TOW-BODY CORRELATION FUNCTION AND ITS APPLICATION TO THE EXCITED STATES OF He-LIKE IONS

本文介绍了构造原子状态二体关联波函数的基本方法和物理依据,对尝试波函数变分计算的主要过程做了较为详尽的说明,同时对类He离子的激发态结构进行了计算,并且与Cl和1/Z微扰展开等其它关联方法的结果进行了比较和讨论。

The two-body correlation method, proposed by Wilets et al.and developed by the present authors for calculating the correlation structure of light atoms, is further investigated and applied to He-like ion excited states.In this formalism, the full atomic wave function is written in the form where Φ0 is the analytical Hartree-Fock wave function, and μ are correlation variational parameters. For the (lsnl)n3,1L (n=2, 3, 4 ;L=2, 3) excited states of the He-like ions, following a set of single electron spin-orbital wave functi-on(radial part) is adopted for constructing theΦ0 and all of the orbital parameters A(nl, M, N) and μn1(m) are determined by the procedure of minimizing atomic zero appro- ximation energy E0(E0 = <Φ0 | H |Φ0>). The calculated atomic correlation energy results agree very well with that of other more complicated correlation methods such as CI and 1/Z perturbation expantion et al.