3-DIMENSIONAL TIME-DEPENDENT WAVEPACKET CALCULATION OF THE TRANSITION-STATE RESONANCES FOR MUH(2) AND MUD(2) - RESONANCE ENERGIES AND WIDTHS

The transition state resonances of Mu + H-2 and Mu + D-2 collisions ar e investigated on the accurate DMBE potential energy surface for H-3 u sing a three-dimensional (3D) time-dependent quantum-mechanical method for total angular momentum J = 0. The discrete variable representatio n-finite basis representation (DVR-FBR) transform method is used to de scribe the dynamics in the bending coordinate, while the two stretchin g coordinates are treated by a sine fast Fourier transform (FFT) techn ique. The time propagation of the wavepacket is carried out using the Felt-Fleck split operator algorithm. For both systems, the progression s of the resonance states in 3D are the same as in 2D. Compared with t he 2D results, their lifetimes tend to be shorter.