Accurate static and dynamic polarizabilities of Li-

Abstract

Using multiconfiguration linear-response theory, accurate predictions are given for the static and dynamic dipole polarizabilities of ${\mathrm{Li}}^{\mathrm{\ensuremath{-}}}$. Benchmark full configuration-interaction (CI) results are also presented. Virtually exact full CI results are obtained for a very compact wave function keeping 1s doubly occupied and describing the correlated movement of the remaining two electrons with three orbitals: 2s, 3s, and 2p. d functions are found to be crucial for the calculation of the dipole polarizability and for obtaining gauge invariance. The static polarizability is predicted to be 798\ifmmode\pm\else\textpm\fi{}5 a.u.