Phys. Rev. B 52, 4775–4778 (1995)Shape isomerism in sodium clusters with 10≤Z≤44: Jellium model with quadrupole, octupole, and hexadecapole deformationsReceived 26 April 1995; published in the issue dated 15 August 1995 We present deformation energy surfaces of singly charged sodium clusters with 10<=Z<=44 valence electrons. We use the structurally averaged jellium model with quadrupole, octupole, and hexadecapole shapes of the ionic background. The Kohn-Sham equations in local-density approximation are solved on a two-dimensional grid with axial symmetry. We discuss the systematics of spherical, prolate, and obate found-state shapes and find good agreement with recent experimental information from dipole resonances in photoabsorption measurements. In particular, we confirm the oblate shapes of clusters above the Z=40 closed shell, which only result when octupole deformations are included. For some clusters with Z≥40 we find a static electric dipole moment of order ∼0.01 a.u. © 1995 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.52.4775
DOI:
10.1103/PhysRevB.52.4775
PACS:
36.40.-c, 71.45.Nt
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