LSTH potential energy parameters

LSTH potential energy parameters non-adiabatic coupling, quasiclassical trajectory (QCT) calculation ... 

Table III. Parameters of van der Waals Wells in the MU+D2 Reaction on the LSTH Potential Energy Surface...

During initialization and final analysis of the QCT calculations, the numerical values of the Morse potential parameters that we have used are given as De = 4.580 eV, re = 0.7416 A, and (3 = 1.974 A-1. Moreover, the potential energy as a function of internuclear distances obtained from the analytical expression (with the above parameters) and the LSTH [75,76] surface asymptotically agreed very well. 

The other data are from quasiclassical trajectory calculations by Mayne and Toennies. Again, all of the calculations use the LSTH potential the results are shown in Fig. 3. To search for the threshold we made special runs for rel " °. 28 eV, one with a very small impact parameter, 0.3 uq the top of the error bar at that energy in Fig. 3 indicates the value that would have been calculated for the cross section if only one of the trajectories had reacted. 

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