On the electronic and geometric structur
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Katrin Albert; Konstantin M. Neyman; Vladimir A. Nasluzov; Sergey Ph. Ruzankin;
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Article
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1995
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Elsevier Science
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English
โ 618 KB
Density functional studies of the abundant cluster Na6Pb and of its analogue Na6Mg are reported. The structure of Na6Pb has been optimized for a series of symmetry constraints (O h, D3d, D3h, C5v, C3v and C2v). The resulting binding energies fall within a narrow range of less than 0.1 eV whereas a s