l壳层状态的QSL分类与耦合波函数的计算  

The QSL Classification of 1-shell and Numerical Calculation of Coupled Wave Function

作　　者：陈健华[1] 

机构地区：[1]国防科技大学应用物理系

出　　处：《国防科技大学学报》1989年第2期61-69,共9页Journal of National University of Defense Technology

摘　　要：本文从准旋、自旋、轨道角动量算符的二次量子化形式出发,讨论了l壳层状态的QSL分类,推导了QSL分类的递推公式并给出了p,d,f壳层的分类结果。应用计算单体、二体算符矩阵元的Slater-Condon规则和解线代数本征值问题子程序,编制了计算l壳层QSL耦合波函数的计算程序,在VAX-11/730机上,对p-壳层和d-壳层共约需半分钟,对f-壳层约需24分钟。Starting from the second quantization formalism of the Quasispin, Spinand Orbital angular momentum operators, the QSL classification of 1-shellstates has been discussed, a recursion formula calculating the multiplets of QSLclassification is derived from Pauli principle and the classified results of p,d,f-shell is presented. A computation program for calculating the QSL coupledwave function of I-shell has been written with the Slater-Condon rules forcomputing the matrix elements of Q^2, S^2, L^2 operators, and a linear algebrasubroutine for diagonalization. The code takes about 30 seconds for p-shelland d-shell, about 24 minites for f-shell on VAX-11/730.

关 键 词：原子物理 波函数 递推公式 耦合 

分 类 号：O562.1[理学—原子与分子物理]