EXTERIOR COMPLEX DILATION FOR GRID METHODS - APPLICATION TO THE CUMULATIVE REACTION PROBABILITY

Exterior complex dilation (ECD) is introduced for the discrete variabl e representation (DVR) via a general coordinate mapping. The procedure leads to a computationally efficient and easily implemented approach for imposing outgoing boundary conditions, comparable with absorbing p otentials in terms of minimizing the grid and parameters used. ECD rel ies on a rigorous mathematical framework in contrast to absorbing pote ntials. The DVR-ECD approach is illustrated by computation of the cumu lative reaction probability for the H+H-2 reaction in one and two dime nsions. (C) 1998 American Institute of Physics. [S0021-9606(98)01110-6 ].