Maple procedures for the coupling of angular momenta. VIII. Spin-angular coefficients for single-shell configurations

Abstract
Matrix elements of physical operators are required when the accurate theoretical determination of atomic energy levels, orbitals and radiative transition data need to be obtained for open-shell atoms and ions. The spin-angular part for these matrix elements is typically based on standard quantities such as matrix elements of the unit tensor, the (reduced) coefficients of fractional parentage as well as a number of other reduced matrix elements concerning various products of electron creation ...

Title of program: RACAH
Catalogue Id: ADFV_v8_0 [ADUR]

Nature of problem
The accurate computation of atomic properties and level structures requires a good understanding and implementation of the atomic shell model and, hence, a fast and reliable access to its standard quantities. Apart from various coefficients of fractional parentage and the reduced matrix elements of the unit tensors, these qualities include the so-called spin-angular coefficients, i.e. the spin-angular parts of the many-electron matrix elements of physical operators, taken in respect of a basis o ...

Versions of this program held in the CPC repository in Mendeley Data
ADFV_v1_0; Racah; 10.1016/S0010-4655(97)00032-5
ADFV_v2_0; Racah; 10.1016/S0010-4655(98)00021-6
ADFV_v3_0; RACAH; 10.1016/S0010-4655(00)00234-4
ADFV_v4_0; RACAH; 10.1016/S0010-4655(01)00218-1
ADFV_v5_0; RACAH; 10.1016/S0010-4655(01)00219-3
ADFV_v6_0; RACAH; 10.1016/S0010-4655(02)00591-X
ADFV_v7_0; RACAH; 10.1016/S0010-4655(03)00227-3
ADFV_v8_0; RACAH; 10.1016/j.cpc.2004.11.003
ADFV_v9_0; RACAH; 10.1016/j.cpc.2005.12.008
ADFV_v10_0; RACAH; 10.1016/j.cpc.2009.06.018

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

摘要
在精确理论确定开放壳层原子和离子的能级、轨道以及辐射跃迁数据时，物理算符的矩阵元是必不可少的。这些矩阵元的自旋角动量部分通常基于标准量，如单位张量的矩阵元、分数父系系数（包括约化系数）以及其他涉及电子创造多种产物的多个约化矩阵元。

程序名称：RACAH
目录编号：ADFV_v8_0 [ADUR]

问题性质
精确计算原子属性和能级结构需要深入理解和实现原子壳层模型，因此，快速而可靠的访问其标准量是至关重要的。除了各种分数父系系数和单位张量的约化矩阵元之外，这些品质还包括所谓的自旋角动量系数，即物理算符多电子矩阵元的自旋角动量部分，以基为基础进行考量。

此程序版本存放在Mendeley数据中心的CPC程序库中
ADFV_v1_0; Racah; 10.1016/S0010-4655(97)00032-5
ADFV_v2_0; Racah; 10.1016/S0010-4655(98)00021-6
ADFV_v3_0; RACAH; 10.1016/S0010-4655(00)00234-4
ADFV_v4_0; RACAH; 10.1016/S0010-4655(01)00218-1
ADFV_v5_0; RACAH; 10.1016/S0010-4655(01)00219-3
ADFV_v6_0; RACAH; 10.1016/S0010-4655(02)00591-X
ADFV_v7_0; RACAH; 10.1016/S0010-4655(03)00227-3
ADFV_v8_0; RACAH; 10.1016/j.cpc.2004.11.003
ADFV_v9_0; RACAH; 10.1016/j.cpc.2005.12.008
ADFV_v10_0; RACAH; 10.1016/j.cpc.2009.06.018

此程序已从贝尔法斯特女王大学（1969-2018）所持有的CPC程序库中导入。