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Interatomic Forces in Condensed Matter
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Interatomic Forces in Condensed Matter

Mike Finnis

Abstract

There is a continuing growth of interest in the computer simulation of materials at the atomic scale, using a variety of academic and commercial computer programs. In all such programs there is some physical model of the interatomic forces. For a student or researcher, the basis of such models is often shrouded in mystery. It is usually unclear how well founded they are, since it is hard to find a discussion of the physical assumptions that have been made in their construction. The lack of clear understanding of the scope and limitations of a given model may lead to its innocent misuse, result ... More

Keywords: computer simulation, computer programs, interatomic forces, density functional theory, pairwise potentials, tight-binding models, ionic models

Bibliographic Information

Print publication date: 2003 Print ISBN-13: 9780198509776
Published to Oxford Scholarship Online: January 2010 DOI:10.1093/acprof:oso/9780198509776.001.0001

Authors

Affiliations are at time of print publication.

Mike Finnis, author
Department of Pure and Applied Physics, Queen's University Belfast