EXTENSION OF THE QUASI-STATIC FAR-WING LINE-SHAPE THEORY TO MULTICOMPONENT ANISOTROPIC POTENTIALS

Authors
Citation
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
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
100
Issue
12
Year of publication
1994
Pages
8720 - 8736
Database
ISI
SICI code
0021-9606(1994)100:12<8720:EOTQFL>2.0.ZU;2-O
Abstract
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.