F. Alasia et al., SELF-CONSISTENT CALCULATIONS IN SPHERICAL METAL-CLUSTERS WITH UNIFORMLY AVERAGED REALISTIC PSEUDOPOTENTIALS, Physical review. B, Condensed matter, 52(11), 1995, pp. 8488-8498
Using realistic nonlocal pseudopotentials to describe ion-valence elec
tron interaction, we perform self-consistent calculations of ground an
d excited states of spherical alkali-metal clusters within the local-d
ensity approximation. The ion pseudopotential is uniformly averaged in
the cluster sphere within the proposed pseudopotential jellium model.
It is found that in small clusters, pseudopotentials lead to predicti
ons that strongly improve those of the jellium model and are very clos
e to the results found previously with pseudo-Hamiltonians.