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Environment-Dependent Tight-Binding Potential Model
Published online by Cambridge University Press: 10 February 2011
Abstract
We have developed a tight-binding model which goes beyond the traditional two-center approximation and allows the tight-binding parameters to scale according to the bonding environment. Our studies show that this environment-dependent tight-binding model improves remarkably the accuracy and transferability of the potential to describe the structures and properties of higher coordinated metallic systems in addition to those of low coordinated covalent systems.
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- Research Article
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- Copyright © Materials Research Society 1998
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