THEORETICAL $N_{2}-, O_{2}$-, AND AIR-BROADENED HALFWIDTHS OF ${^{16}}O_{3}$, CALCULATED BY QUANTUM FOURIER TRANSFORM THEORY WITH REALISTIC COLLISION DYNAMICS
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Date
1984
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Ohio State University
Abstract
We have evaluated collision broadened halfwidths of ozone with nitrogen and oxygen as the perturbing gases. Calculations using conventional Anderson $theory^{1}$ or quantum Fourier transform $theory^{2}$ are shown to be some 25 to 35\% too low when compared to the experimental $measurements^{3,4}$. We show that it is important to consider more realistic collision dynamics in the calculations. By replacing the classical path trajectories by non-linear trajectories with constant velocities chosen to give the equations of motion exact to first order in time we develop the interruption function in terms of the actual distance of closest approach determined by the intermolecular potential. This improvement to the theory results in $N_{2}$- and $O_{2}$- broadened halfwidths which are in good agreement with the experimental measurements. Air-broadened halfwidths have been evaluated from the nitrogen and oxygen results via the formula $\gamma_{air}=0.79 \gamma_{N_{2}}+0.21 \gamma_{0_{2}}.$ The results agree with the air-broadened $measurements^{3}$ to better than 5\%.
Description
$^{1}$. P.W. Anderson, Phys.Rev.76, 647 (1949); 80, 511 (1950). $^{2}$. R.W. Davies, Phys.Rev.A12, 927 (1975). $^{3}$. C. Meunier, P. Marche, and A. Barbe, J.Mol.Spectrosc.95, 271 (1982). $^{4}$. J. Margolis, J. Quant. Spectrosc.Radiat.Transfer29, 539 (1983). This work was supported by the Air Force Office of Scientific Research through AFGL task 2310G1.
Author Institution: The Center for Atmospheric Research, University of Lowell Research Foundation; GTE/Sylvania, University of Lowell Research Foundation; Optical Physics Division, Air Force Geophysics Laboratory
Author Institution: The Center for Atmospheric Research, University of Lowell Research Foundation; GTE/Sylvania, University of Lowell Research Foundation; Optical Physics Division, Air Force Geophysics Laboratory