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l壳层状态的QSL分类与耦合波函数的计算
引用本文:陈健华.l壳层状态的QSL分类与耦合波函数的计算[J].国防科技大学学报,1989,11(2):61-67.
作者姓名:陈健华
作者单位:国防科技大学应用物理系
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。

关 键 词:原子物理  波函数  ι壳层  递推公式  耦合  耦合状态分类
收稿时间:1987/10/5 0:00:00

The QSL Classification of l-shell and Numerical Calculation of Coupled Wave Function
Chen Jianhua.The QSL Classification of l-shell and Numerical Calculation of Coupled Wave Function[J].Journal of National University of Defense Technology,1989,11(2):61-67.
Authors:Chen Jianhua
Institution:Chen Jianhua
Abstract: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.
Keywords:atomic physics  wave function  l-shell  recursion formula  coupling  classification of coupled state
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