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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 45, 1982 - Issue 1
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Original Articles

An SCF calculation of the pair polarizability of argon

Peter D. Dacre Department of Chemistry, The University of Sheffield, Sheffield, S3 7HF, England
Pages 1-15 | Received 16 Jun 1981, Accepted 15 Jul 1981, Published online: 23 Aug 2006
 
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Abstract

The finite field SCF method has been used to calculate the pair polarizability of argon; a gaussian basis set was employed. The computed anisotropy and trace are compared with models obtained from Raman spectroscopy, and also with results from perturbation theory. Analytic fits to the anisotropy function are examined. Long range convergence to DID values is obtained for both the trace and anisotropy. However the trace exceeds the DID value in a range of separation between the well and 13 a 0. Values for the second Kerr and dielectric virial coefficients are calculated. An accurate form of the anisotropy is proposed.

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