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Jellium model achieved great success in predicting stable clusters withclosed electronic shells and zero spin. In order to explain the stability ofopen shell clusters, it is necessary to consider the case of non-degenerateenergy levels. In this paper the energy levels in nine low-lying Li$_{19}$clusters are analysed systematically through superatomic orbital splittingeffect. It is found that for originally degenerate orbitals like five 1Dorbitals, the more the orbital extends in the direction of the clusterextension, the lower the energy of the orbital becomes. So oblate Li$_{19}$clusters have the orbital sequence of$1\mathrm{S}^2-1\mathrm{P}_{x/y}^{4}-1\mathrm{P}_{z}^{2}-1\mathrm{D}_{xy/x^2-y^2}^{4}-2\mathrm{S}^2-1\mathrm{D}_{xz/yz}^{4}-1\mathrm{D}_{z^2}^{1}$,while prolate Li$_{19}$ clusters have the sequence of$1\mathrm{S}^2-1\mathrm{P}_{z}^{2}-1\mathrm{P}_{x/y}^{4}-1\mathrm{D}_{z^2}^{2}-1\mathrm{D}_{xz/yz}^{4}-1\mathrm{D}_{xy/x^2-y^2}^{4}-2\mathrm{S}^1$.This electron configuration is applied to predict the shape and magnetic momentof the alkali metal Li$_{n}$ clusters. The stability of the Li$_{14}$ clustercan be successfully interpreted in the framework of orbital splitting effectwithout resorting to the super valence bond (SVB) model, indicating anon-spherical cluster can achieve good stability without meeting the magicnumber. It is also proposed that the orbital splitting can be used to predictthe shape (prolate, oblate or sphere) and magnetic moment of clusters. 11 outof 16 predicted shapes of Li$_n(n=3-18)$ are consistent with the resultsobtained by the principle of minimum energy.

Superatom Orbitals, Orbital Splitting and Structure Prediction of Pure Alkali Metal Clusters