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A diatomic potential function based on observed regularities in spectroscopic data

Authors
Journal
Spectrochimica Acta Part A Molecular Spectroscopy
0584-8539
Publisher
Elsevier
Publication Date
Volume
29
Issue
3
Identifiers
DOI: 10.1016/0584-8539(73)80034-0
Disciplines
  • Computer Science

Abstract

Abstract A new, analytical diatomic potential function is proposed which is deduced from an empirical examination of regularities in the behavior of the Dunham potential coefficients. The potential is tested on I 2 using numerical and perturbation solutions of the vibration-rotation wave equation. The validity of the potential function and the accuracy of various computational methods are compared using several different criteria.

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