Quantum mechanical calculation of reaction probabilities and branching ratios for the O(1D)+HD → OH(OD) plus D(H) reaction on the (X)over-tilde1A′ and 11A adiabatic potential energy surfaces

The real wave packet method is used to calculate state-to-state reaction probabilities and branching ratios for the reaction O(D-1) + KD --> OH(OD) + D(H) for zero total angular momentum. Calculations are performed on the adiabatic potential energy surfaces corresponding to the (X) over tilde (1)A ' and 1(1)A electronic states. Vibrational state-to-state cross sections, product state distributions and branching ratios are estimated using a capture model and J-shifting methods. The results are compared with experiment and with results of quasi-classical trajectory calculations.