Jahn-Teller Distortion, Hund's Coupling and Metastability in Alkali Tetramers

摘要

The equilibrium geometries of small metal clusters are strongly influenced by the number of valence electrons available. These electrons occupy the molecular energy levels in different ways depending upon the degeneracies of the one-electron states. The symmetry of the atomic arrangements guide the degeneracies and the consequent spin configuration of the clusters. The interplay of the geometry and the spin configuration is demonstrated using model clusters of sodium and lithium.