Eur. Phys. J. D (2017) 71: 108
https://doi.org/10.1140/epjd/e2017-70685-9

Regular Article

Effective potentials for H₂O-He and H₂O-Ar systems. Isotropic induction-dispersion potentials

¹ Tomsk State University of Control System and Radio Electronics, 634050 Tomsk, Russia
² National Research Tomsk Polytechnic University, 634050 Tomsk, Russia
³ V.E. Zuev Institute of Atmospheric Optics SB RAS, 634021 Tomsk, Russia
⁴ Tomsk State University, 634050 Tomsk, Russia

^a e-mail: tanja@iao.ru

Received: 4 November 2016
Received in final form: 18 January 2017
Published online: 18 May 2017

Abstract

The vibrational and rotational dependence of the effective isotropic interaction potential of H₂O–He and H₂O–Ar systems, taken in the form of Lennard-Jones 6–12 potential has been analyzed. The analysis is based on the experimental line broadening (γ) and line shift (δ) coefficients obtained for different vibrational bands of H₂O molecule perturbed by He and Ar. The first and second derivatives of the function C⁽¹⁾(q) for the long-range part of the induction-dispersion potential with respect to the dimensionless normal coordinates q were calculated using literature information for the dipole moment and mean polarizability functions μ(q) and α(q), respectively. These derivatives have been used in the calculations of the quantities which determine the vibrational and rotational dependence of the long-range part of the effective isotropic potential. The optimal set of the derivatives for the function C⁽¹⁾(q) is proposed. The comparison with the experimental data has been performed.