Figure 3. Λ-doublet population ratios for the O(3P)+D2 reaction at Ecoll=25 kcal mol−1.
(a) QM results for v′=0; (b) QM results for v′=1; (c) QCT results for v′=0; (d) QCT results for v′=1. ‘QM' and ‘QCT' represent the ratio of the ICSs calculated on the A′ and A′′ PES, whereas ‘corr-QM' and ‘corr-QCT' are the ΠA′/ΠA′′ ratios after making use of the respective weight factors. The experimental results from ref. 5 are denoted as ‘Exp'. The experimental error bars represent the +1σ statistical uncertainties based on variations in repeated measurements5.
