Q. Ma et Rh. Tipping, EXTENSION OF THE QUASI-STATIC FAR-WING LINE-SHAPE THEORY TO MULTICOMPONENT ANISOTROPIC POTENTIALS, The Journal of chemical physics, 100(12), 1994, pp. 8720-8736
The formalism developed previously for the calculation of the far-wing
line shape function and the corresponding absorption coefficient usin
g a single-component anisotropic interaction term and the binary colli
sion and quasistatic approximations is generalized to multicomponent a
nisotropic potential functions. Explicit expressions are presented for
several common cases, including the long-range dipole-dipole plus dip
ole-quadrupole interaction and a linear molecule interacting with a pe
rturber atom. After determining the multicomponent functional represen
tation for the interaction between CO2 and Ar from previous published
data, we calculate the theoretical line shape function and the corresp
onding absorption due to the nu(3) band of CO2 in the frequency region
2400-2580 cm(-1) and compare our results with previous calculations c
arried out using a single-component anisotropic interaction, and with
the results obtained assuming Lorentzian line shapes. The principal un
certainties in the present results, possible refinements of the theore
tical formalism, and the applicability to other systems are discussed
briefly.