B. Bagchi et al., The Enskog theory for classical vibrational energy relaxation in fluids with continuous potentials, J CHEM PHYS, 115(9), 2001, pp. 4195-4198
The recently developed Enskog theory for binary friction for fluids with co
ntinuous potentials, such as the Lennard-Jones, has been extended to calcul
ate the frequency dependence of this friction. zeta (E)(omega)- This zeta (
E)(omega) is then applied to study vibrational energy relaxation of low-fre
quency modes via the Landau-Teller expression. The agreement with simulatio
n results is found to be satisfactory. In the present approach we provide a
n exact prescription for the binary friction and thus remove a lacuna in th
is area. zeta (E)(omega) shows an interesting structure with a hump at low
frequency, the signature of which has already been seen in many simulation
studies. (C) 2001 American Institute of Physics.