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
12 ذو الحجة 1441
Accepted
20 محرم 1442
First published
21 محرم 1442

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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