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Initial conditions
We start our calculations with a Gaussian distribution in R of the form

(16) 
where R_{0} is the center of the wave packet. For the vibrational
degree of freedom r, we take the lowest eigenstate of the vibrational
Hamiltonian in the potential at R_{0} for a Tshaped H +
O_{2} geometry. Rotationally, we start in the lowest state, j_{i} =1.
This means that for each (j_{i},J) combination we have
different substates. Odd spectroscopic parity has
states and even spectroscopic parity has
substates, where spectroscopic parity[65,66] is
(1)^{J+p}. Thus, for the odd
spectroscopic parity and j_{i}=1 we start the calculation in the
substate. The results for even spectroscopic parity are obtained by
performing two calculations, one starting in the
substate
and one starting in the
state and by subsequent averaging
over the results of the two separate calculations (see
Ref. [82], p. 204 ff.). Finally, if we want the total
reaction probability we have to average over all possible initial
(i.e., 3) states. The parameters for the wave packet are given in
Table I.
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Anthony J. H. M. Meijer
19980220