COMPARISON OF OPTIMAL-LEVEL AND AVERAGE-LEVEL MULTICONFIGURATIONAL DIRAC-FOCK AS WELL AS OF RELATIVISTIC CONFIGURATION-INTERACTION CALCULATIONS FOR THE NS2 S-1(0)-NSNP P-3(1), P-1(1) TRANSITIONS

Transition energies and oscillator strengths of the ns2 S01nsnp P13,1P1 transitions in Zn i, Rb viii, Hg i, and Rn vii spectra obtained for short basis sets with multiconfigurational Dirac-Fock optimal-level [MCDF(OL)] and average-level [MCDF(AL)] as well as with relativistic configuration-interaction (CIDF) methods are compared with experimental data. It can be seen that for highly ionized systems all three methods yield very close results, whereas for neutral systems the MCDF(OL) method is the most reliable. For neutral systems and short basis sets the MCDF(AL) results differ considerably with experiment and are very similar to those of the CIDF approach. This dfference is largely reduced if core-electronvalence-electron correlation is included in the core-polarization approximation. © 1990 The American Physical Society.