Spectrum of states of 16O18O16O with J = 19 (K a = 4, K b = 12) near the dissociation threshold. Slices of PES along two channels show the main covalent well and two shallow vdW wells. The vibrational character of states can be identified by their position in one of the wells. In this model the rotational and bending motions are treated adiabatically.
(a) Dissociation probability as a function of impact parameter for the initial state 53. Each dot corresponds to one quantum-classical trajectory; 13500 randomly sampled trajectories are used. (b) Illustration of convergence of the dissociation cross sections for the initial states 51, 53, and 54 as the maximum impact parameter is increased.
Total energy transfer as a function of impact parameter for the initial state 51. Color shows probability of the process which increases ten orders of magnitude from violet to red. (a) Linear energy scale is employed. (b) Same data, but logarithmic scale for |ΔE| is employed in order to magnify the low energy part of the distribution.
Rotational energy transfer in the O3 + Ar collisions as a function of angular momentum transfer. Initial state is state 51. Each dot corresponds to one quantum-classical trajectory; 13500 randomly sampled trajectories are used. Two groups of dots are clearly identified. Three lines correspond to analytic rigid-rotor models with different moments of inertia (see text). Three inserts show corresponding rotations of O3.
Vibrational energy transfer as a function of (a) angular momentum transfer and (b) impact parameter. Color shows probability of the process which increases ten orders of magnitude from violet to red. Initial state is state 51. The quantized vibrational spectrum of O3 is clearly identified.
The energy transfer functions expressed as the differential (over energy) cross sections. Three frames correspond to three initial states. Transition and stabilization cross sections, as defined in the text, are shown as black circles and red dots, respectively. Presence of the vdW states in the range −150 < E < +500 cm−1 lifts circles with respect to the dots by several orders of magnitude. Outside of this range circles and dots coincide. Fit of each wing by the exponential model is shown as solid line. The elastic scattering peak is seen in each frame.
Cross sections for stabilization, dissociation, and survival (as defined in the text) for three initial states.
Parameters for single and double exponential models used to fit each wing of the energy transfer functions in Fig. 6.
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