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The development of a full range analytical interatomic potential

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Abstract

A chronological account is given to the development of a full range interatomic potential. Starting with a simple phenomenological model, the terms in the model are gradually modified, so that they can carry some definite physical meaning. To gain insight, a systematic, order by order interaction potential theory is developed. Conversely, this theory suggests the functional form for the potential model. At present, we have a simple interaction model that is capable of describing the van der Waals potentials of many systems from R = 0 to R → ∞.

Graphical abstract: The development of a full range analytical interatomic potential

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Article information


Submitted
02 Aug 2020
Accepted
08 Sep 2020
First published
09 Sep 2020

Phys. Chem. Chem. Phys., 2020, Advance Article
Article type
Paper

The development of a full range analytical interatomic potential

X. W. Sheng and K. T. Tang, Phys. Chem. Chem. Phys., 2020, Advance Article , DOI: 10.1039/D0CP04083E

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