应用“Maple”数学软件来推求同科电子光谱项  

The inference of spectral term of equivalent electrons using "Maple" mathematical software

作　　者：许永强[1] 陈华锋[1] 周卫东[1] 张为俊[1] 

机构地区：[1]中国科学院安徽光学精密机械研究所环境光谱学研究实验室,合肥230031

出　　处：《原子与分子物理学报》2007年第2期357-361,共5页Journal of Atomic and Molecular Physics

摘　　要：推求光谱项对于研究原子的结构和光谱十分重要.怎样确定复杂的多电子原子体系的光谱项是原子物理学研究的重要内容之一.受泡利原理的限制,含有多个同科电子的原子电子组态的光谱项的推求一直是原子物理学,结构化学等学科研究的难点,人工方法推求其谱项困难很大.本文根据同科电子在L-S耦合下量子数取值的组合特点,推出了总轨道磁量子数为ML时出现次数的计算公式,结合Maple数学软件,给出了一种推求同科电子光谱项的新方法.根据该公式,使用Maple数学软件,能快速、准确的求得同科电子在L-S耦合下的光谱项.文中我们举例应用该方法,具体推求了同科电子体系d3,f7电子组态在L-S耦合下的光谱项,所得结果与文献给出的一致.Deducing spectral terms is very important for researching the atomic structure and spectrum. How to deduce the spectral terms is one of the important research areas for atoms having more than one out shell electrons in atomic physics. Due to Pauli exclusion principle, it is very difficult to deduce the spectral terms for atoms having complicated configuration and some equivalent electrons. And it is even more tough if try to deduce the spectra erms by manual calculation. Based on the L-S coupling approximation for angular momentum coupling in atom, a formula related to magnetic quantum number ML is derived. The times of ML appears in L-S coupling case for atom having equivalent electrons can be deduced using the formula, combine with the use of Maple mathematical software, a new method for inferring the spectral term of atoms having equivalent electrons is presented, and the spectral term of atoms having equivalent electrons in L-S coupling case can be quickly and precisely deduced. Using the method we presented here, the spectral term of the d^3 and f^7 electrons configuration are derived as an example, all the results are in consistent with literature.

关 键 词：同科电子 L-S耦合 光谱项 MAPLE 

分 类 号：O562.1[理学—原子与分子物理]