Phys. Rev. Lett. 53, 655–658 (1984)Equilibrium Geometries and Electronic Structures of Small Sodium ClustersReceived 13 February 1984; published in the issue dated 13 August 1984 We report self-consistent local-spin-density calculations which provide, for the first time, the equilibrium geometries of the sodium clusters Nan and Nan+ with n<~8 and n=13, without making any a priori assumptions. Our results are in excellent agreement with recently obtained photoionization appearance potentials and electron-spin-resonance spectra. We find rapid formation of the metallic bond with a dominance of closely packed structures in two and three dimensions, and propose a simple model to account for it. © 1984 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.53.655
DOI:
10.1103/PhysRevLett.53.655
PACS:
36.40.+d
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