Modelling the polarizability of the dihydrogen–argon pair

The system of the Cartesian axes defining the angle 〈theta〉 and the relative intermolecular separation R used in our computations. The collision-induced (CI) pair polarizability of dihydrogen–argon ( H 2 – Ar ) pair has been studied using quantum-chemical and analytical methods. We have proposed a p...

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Bibliographic Details
Published in:Chemical physics letters 2009-03, Vol.471 (1), p.148-152
Main Authors: Bancewicz, Tadeusz, Maroulis, George
Format: Article
Language:English
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Summary:The system of the Cartesian axes defining the angle 〈theta〉 and the relative intermolecular separation R used in our computations. The collision-induced (CI) pair polarizability of dihydrogen–argon ( H 2 – Ar ) pair has been studied using quantum-chemical and analytical methods. We have proposed a procedure to determine the rotationally adapted (symmetry adapted) components of the CI polarizability tensor. The corresponding irreducible spherical symmetry adapted components are computed for the H 2 – Ar pair. We have analyzed the dipole-induced dipole (DID) model pair polarizability tensor for H 2 – Ar . Good agreement between the DID allowed rotationally adapted CI H 2 – Ar polarizability components and those computed by quantum-chemical methods is found.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2009.01.080