Title of article :
Collision-induced absorption in liquid carbon tetrachloride
Author/Authors :
Llanta، نويسنده , , Estanis and Rey، نويسنده , , Rossend Rey، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2001
Abstract :
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 interactions have been implemented with the chemical potential equalization method, which requires the gas phase values of the octupole moment and mean polarizability tensor. It is shown that the absorption coefficient constitutes an exacting probe of interaction potentials, strongly favoring a physically reasonable set of atomic charges.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters