An SCF calculation of the pair polarizability of argon
- 1 January 1982
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 45 (1) , 1-15
- https://doi.org/10.1080/00268978200100011
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.Keywords
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