Dipole Polarizabilities of Li, C, and O and Long-Range Coefficients for Various Molecular States of Li2, CO, and O2

Michel Rérat (1) , B. Bussery , M. Frécon

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

Dynamic polarizabilities with imaginary frequencies are calculated for Li(2s 2S), Li(3s 2S), Li(2p 2P), C(2p2 3P), and O(2p4 3P) atoms with a time-dependent gauge-invariant method. Coulombic long-range interactions are deduced for various states of Li2, CO, and O2 and compared to previous calculated and experimental results. © 1997 Academic Press.

Domaines: Chimie théorique et/ou physique

Michel Rérat, B. Bussery, M. Frécon. Dipole Polarizabilities of Li, C, and O and Long-Range Coefficients for Various Molecular States of Li2, CO, and O2. Journal of Molecular Spectroscopy, 1997, 182 (2), pp.260-270. ⟨10.1006/jmsp.1996.7231⟩. ⟨hal-01610617⟩