Tight binding within the fourth moment approximation: Efficient implementation and application to liquid Ni droplet diffusion on graphene

Tight binding within the fourth moment approximation: Efficient implementation and application to liquid Ni droplet diffusion on graphene

Application of the fourth moment approximation (FMA) to the local density of states within a tight binding description to build a reactive, interatomic interaction potential for use in large scale molecular simulations, is a logical and significant step forward to improve the second moment approxima...

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Bibliographic Details
Main Authors: Los, J. H., Bichara, Christophe, Pellenq, Roland J. -M.
Other Authors: Massachusetts Institute of Technology. Department of Civil and Environmental Engineering
Format: Article
Language:en_US
Published: American Physical Society 2012
Online Access:http://hdl.handle.net/1721.1/69609
https://orcid.org/0000-0001-5559-4190

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http://hdl.handle.net/1721.1/69609
https://orcid.org/0000-0001-5559-4190

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