Density dependence of electric properties of binary mixtures of inert gases

Author: Rizzo Antonio   Coriani Sonia   Marchesan Domenico   Cacheiro Javier López   Fernández Berta   Hättig Christof  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.104, Iss.2, 2006-01, pp. : 305-318

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

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 A 2 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.