Electrical and optical dipole polarizabilities of two lowest triplet states of the beryllium atom

Abstract

High-accuracy static and dynamic polarizabilities of the $2^3P_u$ and $^{3}S_{g}$ states of the neutral beryllium atom are reported. The calculations employed explicitly correlated Gaussian (ECG) basis sets, and first-order wave functions were obtained by minimization of the Hylleraas functional. The final basis sets used for the response-property calculations contained c.a. 7000-8000 functions, depending on the polarizability component and the chosen symmetry. The results cover frequencies from the static limit, \(ω= 0\), up to the third resonance for the \(2^{3}P_{u}\) state and up to the second resonance for the \(3^{3}S_{g}\) state. To the best of our knowledge, these are the first calculations of dynamic and static polarizabilities for these excited states of the beryllium atom using explicitly correlated basis sets.