A semi-empirical method for estimating molecular quadrupole polarizabilities

It is demonstrated that a loglog plot of (field-gradient) quadrupole polarizabilities against dipole polarizabilities of “chemically similar” atoms can be well fit with a straight line. The theoretical justification for this is discussed. The hypothesis is advanced that the average quadrupole polar...

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Bibliographic Details
Published inChemical physics letters Vol. 50; no. 2; pp. 251 - 254
Main Authors Gislason, Eric A., Rajan, Malini S.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.09.1977
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Summary:It is demonstrated that a loglog plot of (field-gradient) quadrupole polarizabilities against dipole polarizabilities of “chemically similar” atoms can be well fit with a straight line. The theoretical justification for this is discussed. The hypothesis is advanced that the average quadrupole polarizability for a molecule can be estimated from the average dipole polarizability using the best fit to the atomic data. This method works well for H 2, the only molecule with an accurately known quadrupole polarizability.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(77)80174-7