The development of a full range analytical interatomic potential
Xiaowei Sheng, K. T. Tang
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→∞.
Topics & Concepts
Range (aeronautics)Interatomic potentialMaterials scienceChemistryComputational chemistryMolecular dynamicsComposite materialSpectroscopy and Quantum Chemical StudiesRadioactive Decay and Measurement TechniquesAdvanced Physical and Chemical Molecular Interactions