Density dependence of electric properties of binary mixtures of inert gases

A Rizzo, S Coriani, D Marchesan, JL Cacheiro… - Molecular …, 2006 - Taylor & Francis
Molecular Physics, 2006Taylor & Francis
A computational study of the density dependence of the refractivity and dielectric constants,
the electric-field induced second harmonic generation (ESHG) hyperpolarizabilities and of
the Kerr constants of binary mixtures of helium, neon and argon is presented. Potentials and
interaction properties of the homonuclear A2 and heteronuclear AB dimers (A, B= He, Ne,
Ar) are taken from a previous study [J. López Cacheiro, B. Fernández, D. Marchesan, S.
Coriani, C. Hättig, A. Rizzo. Molec. Phys., 102, 101 (2004)]. Dispersion coefficients for the …
A computational study of the density dependence of the refractivity and dielectric constants, the electric-field induced second harmonic generation (ESHG) hyperpolarizabilities and of the Kerr constants of binary mixtures of helium, neon and argon is presented. Potentials and interaction properties of the homonuclear A2 and heteronuclear AB dimers (A, B=He, Ne, Ar) are taken from a previous study [J. López Cacheiro, B. Fernández, D. Marchesan, S. Coriani, C. Hättig, A. Rizzo. Molec. Phys., 102, 101 (2004)]. Dispersion coefficients for the second virial coefficients allow for the determination of the density dependence at any frequency far from the lowest resonance. Fully quantum mechanical results are presented and a comparison with the corresponding classical estimates is discussed. Deep minima are predicted to occur in the ESHG second virial coefficient curve drawn as a function of the molar fraction of one of the components in binary mixtures of He/Ar and Ne/Ar. This phenomenon, observed over a wide range of temperatures, should be easily verifiable experimentally.
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