화학공학소재연구정보센터
Chemical Physics Letters, Vol.471, No.1-3, 148-152, 2009
Modelling the polarizability of the dihydrogen-argon pair
The collision-induced (CI) pair polarizability of dihydrogen-argon (H-2-Ar) pair has been studied using quantum-chemical and analytical methods. We have proposed a procedure to determine the rotationally adapted (symmetry adapted) components of the CI polarizability tensor. The corresponding irreducible spherical symmetry adapted components are computed for the H-2-Ar pair. We have analyzed the dipole-induced dipole (DID) model pair polarizability tensor for H-2-Ar. Good agreement between the DID allowed rotationally adapted CI H-2-Ar polarizability components and those computed by quantum-chemical methods is found. (C) 2009 Elsevier B. V. All rights reserved.