Theoretical studies of atomic transitions. Progress report, March 15, 1982-March 14, 1985

Allowed and forbidden transitions have been studied for a number of atomic systems, of interest in fusion research, using the multiconfiguration Hartree-Fock method with relativistic corrections in the Breit-Pauli approximation. To perform these studies, an atomic structure software package has been designed with computers such as the VAX 11/780 in mind. Numerical procedures are being developed which will extend the program capability to continuum functions which arise in photo-ionization calculations. Extensive studies have been performed of fine-structure splittings and transition rates (E2 and M1) for the ground configurations of the Boron, Nitrogen and Oxygen sequences within the MCHF + BP approximation. Allowed 2s → 2p transitions for the latter were also considered. Calculations for the Carbon sequence are in progress. In an attempt to improve the level of accuracy for few electron systems, programs were developed which would include the mass polarization correction, arising from the finite mass of the nucleus. A revised MCHF program has removed the restriction on the l-quantum number. Some preliminary results for He and Li II have been obtained. Unlike many studies which report results for an isoelectronic sequence, thereby providing fragments of information about a number of spectra, moderately accurate calculations of energy levels and lifetimes were performed for a large portion of a single spectrum. Some 30 quartet levels of Be II were determined. This lead to the identification of a number of lines that had been observed in fast-ion beam experiments