T. Gabard et Jp. Champion, CALCULATION OF COLLISION-INDUCED ENERGY-TRANSFER RATES IN TETRAHEDRALMOLECULES - APPLICATION TO (CH4)-C-12 PERTURBED BY ARGON, Journal of quantitative spectroscopy & radiative transfer, 52(3-4), 1994, pp. 303-317
The semi-classical calculation of collisional energy transfer rates in
spherical top molecules has been investigated. Multipolar transition
moments are expressed in fully symmetrized tensorial form to allow rea
listic eigenfunctions (corresponding to the polyad structure of such m
olecules) to be easily incorporated. The short range intermolecular po
tential has been chosen as an atom-atom Lennard-Jones potential, follo
wing earlier studies in the framework of the semi-classical line broad
ening theory of Robert and Bonamy. A preliminary application to the be
nding dyad of methane perturbed by argon is reported. A sixth order ex
pansion of the intermolecular potential has been used. The parameters
were adjusted to fit observed line width measurements in the v(4) band
. The results obtained for line widths and state to state energy trans
fer rates are discussed.