Static dipole polarizability of the lithium atom, cation, and anion

Abstract
All-electron configuration-interaction calculations for the species Li, Li+, and Li in the presence of a distant negative charge (of charge -1) have been performed and, from the energies, the ground-state static dipole polarizabilities have been determined. The results (in atomic units) for Li and Li+, 164 and 0.188, respectively, are in good agreement with earlier predictions based on other methods. For Li we find that electron correlation practically halves the value of the dipole polarizability, reducing it to 650; previous values have ranged from 800 to 1910. In addition, for purposes of comparison and as a prelude to future calculations on small lithium clusters, we have carried out a valence-electron calculation (using a pseudopotential for the two core electrons) for the neutral atom; the results indicate that for lithium species core-core and core-valence electron correlation does not significantly affect the polarizability.