Department of Chemistry, Århus University, DK-8000 Århus C, Denmark
Department of Chemistry, University of Odense, DK-5230 Odense M, Denmark
Istituto di Chimica Quantistica ed Energetica Moleculare del Consiglio Nazionale delle Ricerche, I-56126 Pisa, Italy
J. Chem. Phys. 110, 2872-2882 (1999).
(Received 17 September 1998; accepted 3 November 1998)
The frequency-dependent interaction induced polarizability and second hyperpolarizability of the argon dimer are computed for a range of internuclear distances employing the coupled cluster singles and doubles response approach. The frequency-dependence of the interaction induced properties is treated through second order in the frequency arguments using expansions in Cauchy moments and hyperpolarizability dispersion coefficients. The dielectric, the refractivity, the Kerr and the hyperpolarizability second virial coefficients are computed for a range of temperatures employing a recent accurate ab initio potential for the ground state of the argon dimer. For most of the computed virial coefficients good agreement is obtained between the present ab initio results and the available experimental data.
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