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Atoms constituting nanosystems: Quasi-classical parameterization for binding energy and electronic structure calculations

Chkhartishvili, L. and Berberashvili, T. (2010) Atoms constituting nanosystems: Quasi-classical parameterization for binding energy and electronic structure calculations. Nano Studies, 1 . pp. 103-144. ISSN 1987-8826

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Abstract

Within the semiclassical approach, intra-atomic electric-charge-densities and electric-field-potentials are parameterized and tabulated in form of radial step-like functions. In binding energy and electronic structure calculations performed for nanosystems, their superpositions serve as good initial approximations of the inner charge-density and potential distributions.

Item Type:Article
Subjects:Material Science > Nanostructured materials
Divisions:Faculty of Engineering, Science and Mathematics > School of Physics
ID Code:11743
Deposited By:Professor Levan Chkhartishvili
Deposited On:20 Jan 2012 16:43
Last Modified:20 Jan 2012 16:43

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