Journal of Chemical Physics, Vol.101, No.7, 5919-5924, 1994
Resonance Properties from Wave-Packet Propagation
We calculate resonance energies, wave functions, and widths by propagating wave packets on a grid. A collinear model of a symmetric triatomic molecule is studied and the results are compared to those obtained from a time-independent complex scaling calculation.
Keywords:DEPENDENT SCHRODINGER-EQUATION;STABILIZATION METHOD;DYNAMICS;SYSTEMS;SCATTERING;MOLECULES;SPECTRUM;STATES