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

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)