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The wave functions for both initial and final states were
determined using the nonrelativistic multiconfgiurational
Hartree-Fock (MCHF) approach. The wave functions were built
from a basis of one-electron spin-orbital functions and were
expanded in terms of configuration state functions (CSF). In
order to keep the calculations in reasonable bounds the
method of Restrictive Active Space (RAS) was applied. The
size of the active sets (characterized by the largest principal
quantum number, n) was incremented until a convergence of both
the LS transition energy and the two forms of LS line
strength were achieved.
In the Breit-Pauli approximation, terms for a specific J value
interact, and this requires that mixing effects between
terms be considered. The traditional MCHF method was
modified to permit a simultaneous optimization of the weighted
energy expressions derived from multiple terms. This
allowed a single orbital set to represent a choice of terms with
strong relativistic mixing. Then, by diagonalization
of the Breit-Pauli Hamiltonian a few selected eigenvalues
were determined. The bi-orthonormal method was applied to
compute the transition data.
2001-10-11