Articles you may be interested inAb initio study of interaction-induced NMR shielding constants in mixed rare gas dimers J. Chem. Phys. 126, 074303 (2007); 10.1063/1.2446955Frequency-dependent hyperpolarizabilities of the Ne, Ar, and Kr atoms using the approximate coupled cluster triples model CC3The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficientsThe effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He 2 and Ar 2 Coupled cluster calculations of the frequency-dependent second hyperpolarizabilities of Ne, Ar, N 2 , and CH 4The 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.