Issue 13, 2021

The development of a full range analytical interatomic potential

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

Associated articles

Article information

Article type
Paper
Submitted
02 Ağu 2020
Accepted
08 Eyl 2020
First published
09 Eyl 2020

Phys. Chem. Chem. Phys., 2021,23, 7748-7757

The development of a full range analytical interatomic potential

X. W. Sheng and K. T. Tang, Phys. Chem. Chem. Phys., 2021, 23, 7748 DOI: 10.1039/D0CP04083E

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