Non-empirical core polarization effects on the optical properties of Mg(I): I. Discrete and continuum energy spectrum up to the third ionization threshold
1996; IOP Publishing; Volume: 29; Issue: 9 Linguagem: Inglês
10.1088/0953-4075/29/9/007
ISSN1361-6455
Autores Tópico(s)Luminescence Properties of Advanced Materials
ResumoThe optical properties of Mg(I) have been computed using a configuration-interaction (CI) approach in which the multielectron basis includes single and double excitations from the M shell plus single excitations from the Ne-like core. The orbital set is of type and comprises STO, hydrogenic plus spatial oscillating STOCOS functions. The continuum states have been obtained by solving a discretized integral equation for the K matrix half-on-the-energy shell. For the , , and manifolds we have computed the discrete and autoionizing levels of the 3s nl, 3p nl, 4s nl and 3d nl series, the last two lying beyond the 3p ionization threshold.
Referência(s)