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Internuclear dependence of static dipole polarizability in diatomic molecules

✍ Scribed by A.J.C. Varandas; S.P.J. Rodrigues

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 634 KB
Volume: 245
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)00936-x

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✦ Synopsis

A simple universal correlation and semi-empirical model are suggested to fit or predict the dependence of the isotropic and anisotropic dipole polarizabifities (or equivalently the parallel and perpendicular components of the polarizability) of diatomic species. Selected ab initio calculations of the polarizability for N2 and NH are presented to test the correlation. Its significance in estimating atom-diatom dispersion coefficients is illustrated for the Ar-N2 interaction.

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