Abstract

We study a model of N electrons confined to a hard spherical box of radius R, for $N=3, 4,$ and 5. Unrestricted Hartree--Fock and full configuration-interaction calculations have been performed for high, medium, and low density regimes. Remarkable changes in electronic structure can be induced by varying the effective Coulomb coupling. A low-spin$\ensuremath{\rightarrow}$high-spin transition occurs in the case of $N=4$ as R is increased. We demonstrate a close connection between the propensity to form hybrid orbitals and the onset of Wigner molecule formation.

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