Universal reduced potential function for diatomic systems

The potential energy functions of 200 diatomic systems, with dissociation energies De ranging from few eV to hundreds of mueV, are well described by a new three-parameter potential energy function. Identification of the evaluated values of a dimensionless quantity, xin=L2/Ln [Ln=(n!De/fn)1/n, a scal...

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Bibliographic Details
Published in:Physical review letters 2006-06, Vol.96 (24), p.243201-243201, Article 243201
Main Authors: Xie, Rui-Hua, Hsu, Paul S
Format: Article
Language:English
Subjects:
CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
DISSOCIATION ENERGY
EQUILIBRIUM
FUNCTIONS
INTERATOMIC DISTANCES
MILLI EV RANGE
POTENTIAL ENERGY
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Summary:The potential energy functions of 200 diatomic systems, with dissociation energies De ranging from few eV to hundreds of mueV, are well described by a new three-parameter potential energy function. Identification of the evaluated values of a dimensionless quantity, xin=L2/Ln [Ln=(n!De/fn)1/n, a scaled length parameter, and fn, the nth force constant evaluated at the equilibrium internuclear distance Re], is proposed as a reliable criterion to search for the universal scaling features of potentials and spectroscopic constants for bound diatomic systems. Our study suggests a useful approach to predicting future molecular spectroscopic constants.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.96.243201