화학공학소재연구정보센터
Journal of Chemical Physics, Vol.120, No.5, 2247-2254, 2004
Quantum reactive scattering with a transmission-free absorbing potential
A recently derived transmission-free absorbing potential is applied to the study of atom-diatom chemical reactions. This absorbing potential only depends on a single parameter-the width of the absorbing region-and its reflection properties are guaranteed to improve as this parameter is increased. Converged results can therefore be obtained very easily, as we illustrate with time-dependent wave packet calculations on the H+H-2,F+H-2, and H+O-2 reactions. (C) 2004 American Institute of Physics.