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ABSTRACT

Blackmore et al. 1988

Blackmore, R., S. Green, and L. Monchick, 1988: Polarized D2 Stokes-Raman Q-branch broadened by He: A numerical calculation. J. Chem. Phys., 88, 4113-4119, doi:10.1063/1.453818.

The high pressure dependence of the linewidths of the D2 polarized Q branch of the Stokes Raman ν = 0→1 transition is calculated numerically and compared with the experimental linewidths. These linewidths are computed using the Shafer-Gordon formula for the line broadening cross section. The requisite S matrices are determined from an ab initio D2-He interparticle potential averaged over D2 vibrational wave functions. These wave functions were also calculated with an ab initio D-D potential. Thus, there were no adjustable parameters for the linewidth calculations. In the high pressure limit, the calculated linewidths matched the experimental linewidths to within about 5%.

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