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New methods for the calculation of the electronic structure of clusters: application for Na13to Na147

โœ Scribed by J. L. Martins


Book ID
112536644
Publisher
Springer
Year
1989
Tongue
English
Weight
519 KB
Volume
12
Category
Article
ISSN
1434-6060

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โœ Katrin Albert; Konstantin M. Neyman; Vladimir A. Nasluzov; Sergey Ph. Ruzankin; ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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