当前位置: X-MOL 学术J. Phys. B: At. Mol. Opt. Phys. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Analytical and numerical expressions for the number of atomic configurations contained in a supershell
Journal of Physics B: Atomic, Molecular and Optical Physics ( IF 1.5 ) Pub Date : 2020-05-17 , DOI: 10.1088/1361-6455/ab81ea
Jean-Christophe Pain 1 , Michel Poirier 2
Affiliation  

We present three explicit formulas for the number of electronic configurations in an atom, i.e. the number of ways to distribute Q electrons in N subshells of respective degeneracies g 1 , g 2 , …, g N . The new expressions are obtained using the generating-function formalism. The first one contains sums involving multinomial coefficients. The second one relies on the idea of gathering subshells having the same degeneracy. A third one also collects subshells with the same degeneracy and leads to the definition of a two-variable generating function, allowing the derivation of recursion relations. All these formulas can be expressed as summations of products of binomial coefficients. Concerning the distribution of population on N distinct subshells of a given degeneracy g , analytical expressions for the first moments of this distribution are given. The general case of subshells with any degener...

中文翻译:

超级壳中包含的原子构型数的解析和数值表达式

对于原子中电子构型的数量,我们给出了三个明确的公式,即在各个简并g 1,g 2,…,g N的N个子壳中分布Q电子的方式的数量。使用生成函数形式主义获得新的表达式。第一个包含涉及多项式系数的和。第二个依赖于收集具有相同简并性的子壳的想法。第三个也收集具有相同简并性的子壳,并导致定义了一个二变量生成函数,从而允许推导递归关系。所有这些公式都可以表示为二项式系数的乘积之和。关于给定简并g的N个不同子壳上的种群分布,给出了该分布的最初时刻的解析表达式。
更新日期:2020-05-17
down
wechat
bug