Frequency-dependent dipole and quadrupole polarizabilities for the ground 2P0 state of boron

Claude Pouchan (1) , Michel Rérat (1) , G. Maroulis

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

Accurate static dipole and quadrupole polarizabilities and hyperpolarizabilities which incorporate the effects of electron correlation have been calculated for boron from MRDCI and CCSD(T) treatments with large Gaussian basis sets. Frequency-dependent dipole and quadrupole polarizabilities at real and imaginary pulsations have also been determined for the ground 2P0 state using our time-dependent gauge-invariant method. Dynamic values presented here are new.

Domaines: Chimie théorique et/ou physique

Claude Pouchan, Michel Rérat, G. Maroulis. Frequency-dependent dipole and quadrupole polarizabilities for the ground 2P0 state of boron. Journal of Physics B: Atomic, Molecular and Optical Physics, 1997, 30 (2), pp.167-176. ⟨10.1088/0953-4075/30/2/012⟩. ⟨hal-01598771⟩