Degeneracy-averaged differential cross sections

Differential and Integral cross sections. The degeneracy averaged differential cross section from a given Initial state ... 

Figure 7 plots the degeneracy averaged differential cross section for D - -H2 v = 1, j = 1) —> HD v = 1, j = 8) -h H at F tot = l-SeV. There are four sets of curves in Fig. 7. The solid curves and data points do not include the geometric phase. The short dashed curves and open squares include...

V. Khare, D. J. Kouri, and D. K. Hoffman, On j -preserving propensities in molecular collisions. I. Quantal coupled states and classical impulsive approximations, J. Chem. Phys., in press V. Khare, D. E. Fitz, and D. J. Kouri, Effect on phase and orbital wave parameter choices on CS and lOS degeneracy averaged differential cross sections, J. Chem. Phys, 73 2802 (1980). See also the discussion and references to research on il choice in reference 17. 

To obtain the corresponding degeneracy averaged differential cross section, one uses... 

We begin by comparing the results of CC and CS calculations of degeneracy-averaged differential cross sections. In Fig. 1 we present the cross sections for the j==0->-j =0 transition. For this case, ii=Jlav give the same results and the agreement with CC... 

V. Khare, D. E. Fitz, and D. J. Kouri, Effect of phase and orbital wave parameter choices on CS and lOS degeneracy averaged differential cross sections, J. Chem. Phys. 73 2802 (1980). 

The differential and integral cross sections for reactive scattering are then obtained from the S matrix elements [24], For example, the degeneracy averaged integral cross section is... 

The differential cross section is defined for experiments that do not resolve angular-momentum projections or observe polarisations. States with different values of these observables are degenerate. We average over initial-state degeneracies and sum over final-state degeneracies. In the absence of details of the states this is denoted by Lav- The final form of the differential cross section is... 

Differential and Integral Cross Sections. In Figure 7 are shown the state-to-state 1-average reactive differential cross sections for F-fH2 (degeneracy-averaged over m., summed over m and but resolved with respect to the final vibrational state v ). In each figure. 

Figures 5 and 6 plot the degeneracy averaged rotational distribution and differential cross sections for D + H2 (v = 1, y = 1) HD v = 1, j ) + H at Etot = l-8eV smmned over aU values of J < 34, respectively. There are two sets of curves in Figs. 5 and 6. The solid curves and data points do not include the geometric phase. The short dashed curves and open squares include the geometric phase. In Fig. 5 the results which include the geometric phase are identical to those which do not include the geometric phase (i.e. the open squares cover the solid squares). Figure 5 also contains two additional curves which include the geometric phase but are summed over J < 33 and 32. These curves correspond to the short dashed curves with the smaller open squares. The results which are summed over J = 32, 33, and 34 are nearly the same which indicates that this rotational distribution is converged with respect to the sum over J. In Fig. 6 the results which...

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