Geometric phase effects in the H+D-2 -> HD+D reaction

The general vector potential (gauge theory) approach for including geometri c phase effects in accurate three-dimensional quantum scattering calculatio ns in symmetrized hyperspherical coordinates is applied to the H + D-2(v,j) --> HD(v',j') + D reaction at 126 values of total energy in the range 0.4- 2.4 eV. State-to-state reaction probabilities, integral, and differential c ross sections are computed using both the Boothroyd-Keogh-Martin-Peterson ( BKMP2) and the Liu-Siegbahn-Truhlar-Horowitz potential energy surfaces for the first six values of total angular momentum (J less than or equal to 5). Calculations are performed on each surface both with and without the geome tric phase. Due to symmetry, the effects of the geometric phase are shown t o cancel out when contributions from even and odd values of J are added tog ether for both the integral and differential cross sections, at all energie s, and independent of which surface is used. These results are consistent w ith recent experimental results which are in good agreement with theoretica l treatments which do not include the geometric phase. Relatively broad tra nsition state resonances are observed in the rotationally resolved integral and differential cross sections. (C) 2000 American Institute of Physics. [ S0021-9606(00)01013-8].