Journal article
Calculation of reduced coefficients and matrix elements in jj-coupling



Publication Details
Authors:
Fritzsche, S.; Gaigalas, G.
Publication year:
2001
Journal:
Computer Physics Communications
Pages range:
86-96
Volume number:
134
Start page:
86
End page:
96
ISSN:
0010-4655

Abstract
A program RCFP will be presented for calculating standard quantities in the decomposition of many-electron matrix elements in atomic structure theory. The list of quantities which are supported by the present program includes the coefficients of fractional parentage, the reduced coefficients of fractional parentage, the reduced matrix elements of the unit operator Tk as well as the completely reduced matrix elements of the operator W-kjkq in jj-coupling. These quantities are now available for all subshells (nj) with j less than or equal to 9/2 including partially filled 9/2-shells. Our program is based on a recently developed new approach on the spin-angular integration which combines second quantization and quasispin methods with the theory of angular momentum in order to obtain a more efficient evaluation of many-electron matrix elements. An underlying Fortran 90/95 module can directly be used also in (other) atomic structure codes to accelerate the computation for open-shell atoms and ions. (C) 2001 Elsevier Science B.V. All rights reserved.


Authors/Editors

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