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Manuscript Title: Spectroscopic LSJ notation for atomic levels obtained from
relativistic calculations. | ||

Authors: G. Gaigalas, T. Zalandauskas, S. Fritzsche | ||

Program title: L_{SJ} | ||

Catalogue identifier: ADTL_v1_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 157(2004)239 | ||

Programming language: Fortran 90/95. | ||

Computer: IBM RS6000, PC Pentium III. | ||

Operating system: IBM AIX 4.1.2+, Linux7.1+. | ||

Keywords: Atomic, LSJ spectroscopic notation, LS-jj transformation, Multiconfiguration Dirac-Fock, Recoupling of angular momenta, Relativistic, Atomic physics, Structure. | ||

Classification: 2.1. | ||

Nature of problem:The spectroscopic LSJ notation is determined for atomic levels
which were calculated previously in the framework of the
jj-coupled multiconfiguration Dirac-Fock (MCDF) model.
This notation is based on a complete jj-LS transformation of the
leading jj-coupled configuration state functions (CSF) in the
wave function representation of the selected levels. | ||

Restrictions:The jj -> LS transformation of the (jj-coupled) CSF
is supported for all shell structures including open, s-,
p-, d-, and f-shells. For shells with l > 3
(i.e. beyond the f-subshells), however, a proper transformation
of the antisymmetrized subshell states can be carried out only for the
case of one or two equivalent electrons. This restriction also
applies for the transformation of the g_{7/2} and
g_{9/2} subshell states which are otherwise supported by
the RATIP package [Fritzsche, J. Elec. Spec. Rel. Phen. 114-116 (2001)
1155]. The jj <-> LS tranformation matrices, which
are applied internally by the program, are consistent with the
definition of the (reduced) coefficients of fractional parentage
[Gaigalas et al., At. Data Nucl. Data Tables 70 (1998) 1; Gaigalas et al
., At. Data Tables 76 (2000) 235] as published previously. | ||

Unusual features:The L _{SJ} program is designed as a part of the RATIP package
[Fritzsche, Elec. Spec. Rel. Phen. 114-116 (2001) 1155] for the
computation of (relativistic) atomic transition and ionization
properties. This (new) component therefore supports the transformation
of all atomic states which are generated either with RATIP or by means
of the GRASP92 code {Parpia et al., Comput. Phys. Comm. 94 (1996) 249].
Moreover, the normalisation of the transformed states is tested within
the LSJ-coupled basis. |

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