Journal of Chemical Physics, Vol.111, No.18, 8344-8349, 1999
Finite-size effects and the stabilized spin-polarized jellium model for metal clusters
In the framework of spherical geometry for jellium and local spin density approximation, we have obtained the equilibrium r(s) values, (r) over bar(s)(N,zeta), of neutral and singly ionized "generic" N-electron clusters for their various spin polarizations, zeta. Our results reveal that (r) over bar(s)(N, zeta) as a function of zeta behaves differently depending on whether N corresponds to a closed-shell or an open-shell cluster. That is, for a closed-shell one, (r) over bar(s)(N, zeta) is an increasing function of zeta over the whole range 0 less than or equal to zeta less than or equal to 1, and for an open-shell one, it has a decreasing part corresponding to the range 0