Pure spin-angular momentum coefficients for non-scalar one-particle operators in jj-coupling

Published: 1 January 2002| Version 1 | DOI: 10.17632/79b5kp6dht.1
G. Gaigalas, S. Fritzsche


Abstract A revised program for generating the spin-angular coefficients in relativistic atomic structure calculations is presented. When compared with our previous version [G. Gaigalas, S. Fritzsche and I.P. Grant, Comput. Phys. Comm. 139 (2001) 263], the new version of the Anco program now provides these coefficients for both, scalar as well as non-scalar one-particle operators as they arise frequently in the study of transition probabilities, photoionization and electron capture processes, the align... Title of program: ANCO(2) Catalogue Id: ADOO_v2_0 [ADQO] Nature of problem The matrix elements of a one-electron tensor operator A^k of (any) rank k with respect to a set of configuration state functions (CSF) |gammaiJiPi> can be written as Sigmaij(tij^k(ab)(a|A^k|b)) where the spin-angular coefficients tij^k(ab) are independent of the operator A^k; i, j are CSF labels and a, b specify the interacting orbitals. A combination of second-quantization and quasispin methods has been utilized in order to derive and to obtain these angular coefficients for one-electro ... Versions of this program held in the CPC repository in Mendeley Data ADOO_v1_0; ANCO; 10.1016/S0010-4655(01)00213-2 ADOO_v2_0; ANCO(2); 10.1016/S0010-4655(02)00589-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Atomic Physics, Computational Physics