Variational calculations for the lithium isoelectronic sequence.

摘要

Variational eigenvalues for the $1ssp2 2s sp2S$ and $1ssp2 2p sp2P$ states of the lithium isoelectronic sequence $(3 le Z le 15)$ are calculated using multiple basis sets in Hylleraas coordinates. A systematic convergence pattern for each of these nonrelativistic energies is established, and extrapolated values are determined to within an accuracy of several parts in 10$sp{10}$ to 10$sp{11}.$ An analytical calculation to determine the first two coefficients $arepsilonsp{(0)}$ and $arepsilonsp{(1)}$ of the Z-expansion for the above states of the lithium isoelectronic sequence is also presented. Using improved electron-pair energies, the third coefficient $arepsilonsp{(2)}$ for the above states is determined to twelve significant figures, and the next several coefficients of the expansion are found by applying the linear least squares fit method to the extrapolated variational eigenvalues. Finally, first order relativistic and mass polarization corrections from (8), and (40) are added to the nonrelativistic energies obtained, and the resulting $1ssp2 2s sp2S - 1ssp2 2p sp2P$ transition energies are compared with experiment to determine the u22experimentalu22 QED corrections.Dept. of Physics. Paper copy at Leddy Library: Theses u26 Major Papers - Basement, West Bldg. / Call Number: Thesis1997 .T35. Source: Masters Abstracts International, Volume: 37-02, page: 0624. Adviser: Gordon W. F. Drake. Thesis (M.Sc.)--University of Windsor (Canada), 1997.