The Interaction-Asymptotic Region Decomposition Method in Jacobi Coordinates: Triatomic Reactive Scatterings.

The interaction-asymptotic region decomposition (IARD) technique has been proven to be a good solution to the long-standing coordinate problem in reactive scattering calculations. In this work, the IARD technique was further developed using Jacobi coordinates for the interaction region, instead of the previously used hyperspherical coordinates. Although the Jacobi coordinate may not be as optimal as the hyperspherical coordinates for describing the interaction region in reactive scattering processes, it has simpler kinetic operators and provides a more physically intuitive picture.