Bound state spectra and properties of the doublet states in three-electron atomic systems

The bound state spectra of the doublet states in three-electron atomic systems are investigated. By using different variational expansions we determine various bound state properties in these systems. Such properties include the electron–nucleus and electron–electron delta-functions and cusp values. The general structure of the bound state spectra in several three-electron atomic systems (Li, Be+, C3+ and F6+) is investigated with the use of the Hylleraas-Configuration Interaction and the Configuration Interaction wave functions. The advantage of our Configuration Interaction based procedure is that it provides high numerical accuracy for all rotationally excited states, including the bound states with L ⩾ 7 .