Abstract
We propose an ab-initio approach to the study of metal clusters of both intermediate and large-size. The method differs from standard full-scale ab-initio calculations in the introduction of localized orbitals and in emphasizing the charge-transfer terms as the most dominant effect in metallic bonding.
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References
G.P. Das and R.L. Jaffe, Chem. Phys. Letters 109 (1984) 206
G.P. Das, Chem. Phys. Letters 114 (1985) 309
B.K. Rao, P. Jena and D.D. Shillady, Phys. Rev. B 30 (1984) 7293
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© 1987 Plenum Press, New York
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Das, G. (1987). An Approximate Ab-Initio Theory of Metal Clusters. In: Jena, P., Rao, B.K., Khanna, S.N. (eds) Physics and Chemistry of Small Clusters. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0357-3_22
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DOI: https://doi.org/10.1007/978-1-4757-0357-3_22
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4757-0359-7
Online ISBN: 978-1-4757-0357-3
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