Collision-induced absorption in liquid carbon tetrachloride

Molecular dynamics (MD) simulation has been used for the computation of the far infrared absorption coefficient of CCl4, with an excellent accord with experimental results at all frequencies. Nonadditive polarization interact ions have been implemented with the chemical potential equalization method, which requires the gas phase values of the octupole moment and mean polari zability tenser. It is shown that the absorption coefficient constitutes an exacting probe of interaction potentials, strongly favoring a physically r easonable set of atomic charges. (C) 2001 Elsevier Science B.V. All rights reserved.