The calculational methods in atomic structure are currently capable of providing the level of accuracy close to that of the most precise experiments. The multiconfiguration Hartree-Fock method is applied to calculation of the 4d--4f energy difference in Li I using two ab initio approximations, namely, the active space method and the core-polarization approximation. The latter method is shown to agree with the most accurate available experimental data.
Citation: Physical Review A (Atomic, Molecular and Optical Physics)
Pub Type: Journals
active space method, atomic structure, core polarization, Li I, MCHF method