Maple procedures for the coupling of angular momenta. VIII. Spin-angular coefficients for single-shell configurations
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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)
创建时间:
2020-01-03



