Maple procedures for the coupling of angular momenta. III. Standard quantities for evaluating many-particle matrix elements

Published: 1 April 2001| Version 1 | DOI: 10.17632/ntcf8pvxf6.1
G. Gaigalas, S. Fritzsche, B. Fricke


Abstract An extension to the Racah program is presented for calculating standard quantities in the decomposition of many-electron matrix elements in atomic structure theory. These quantities include the coefficients of fractional parentage, the reduced coefficients of fractional parentage as well as reduced and completely reduced matrix elements for several operators within the two most frequently applied coupling schemes, namely LS- and jj-coupling, respectively. Values for these quantities are avail... Title of program: RACAH Catalogue Id: ADFV_v3_0 [ADNM] Nature of problem In atomic and nuclear structure theory, the evaluation and spin-angular integration of many-particle matrix elements is typically based on standard quantities like the 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 creation and annihilation operators. These quantities arise very frequently both in configuration interaction approaches and the derivation of perturbation expan ... 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)



Computational Physics, Computer Algebra System, Computational Method