The electronic structure of small metallic clusters. Part II. Pseudopotential calculations of lithium clusters, Li n, of increasing nuclearity (8 ⩽ n ⩽ 32)

Abstract

Pseudopotential calculations on cubic centered lithium clusters of increasing nuclearity (up to Li 32) are reported. The change in electronic properties such as density of states, valence band width, ionization potential, and electron affinity are discussed together with the charge distribution. Although the properties converge toward those characteristics of the bulk metal, even the Li 32 cluster does not display the electronic properties typical of the metallic state.