Dynamic dipole polarizabilities for the ground 4 1S and the low-lying 4 1,3P and 5 1,3S excited states of Zn. Calculation of long-range coefficients of Zn2

K. Ellingsen , M. Mérawa , Michel Rérat (1) , Claude Pouchan (1) , O. Gropen

1 IPREM - Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux

Dynamic dipole polarizabilities for the ground 41S and the low-lying 41,3p and 51,3S excited states of Zn are calculated by the time-dependent gauge-invariant method and compared with other experimental and theoretical results. The wavefunctions are obtained from multi-reference configuration-interaction calculations using a two-electron relativistic pseudopotential. Core-valence polarization is accounted for by the use of a semi-empirical core-valence potential. Core-polarization effects are also considered when calculating the oscillator strengths using a modified dipole transition operator. Long-range coefficients for the molecular states of Zn2 dissociating into: 41S + 41S; 41S + 43P; 41S + 41P; 41S + 51S and 41S + 53S are presented.

Domaines: Chimie théorique et/ou physique

K. Ellingsen, M. Mérawa, Michel Rérat, Claude Pouchan, O. Gropen. Dynamic dipole polarizabilities for the ground 4 1S and the low-lying 4 1,3P and 5 1,3S excited states of Zn. Calculation of long-range coefficients of Zn2. Journal of Physics B: Atomic, Molecular and Optical Physics, 2001, 34 (12), pp.2313-2323. ⟨10.1088/0953-4075/34/12/302⟩. ⟨hal-01598762⟩