Application of the spectral element method to the solution of the multichannel Schrödinger equation.

  title={Application of the spectral element method to the solution of the multichannel Schr{\"o}dinger equation.},
  author={Andrea Simoni and Alexandra Viel and J. M. Launay},
  journal={The Journal of chemical physics},
  volume={146 24},
We apply the spectral element method to the determination of scattering and bound states of the multichannel Schrödinger equation. In our approach, the reaction coordinate is discretized on a grid of points whereas the internal coordinates are described by either purely diabatic or locally diabatic (diabatic-by-sector) bases. Bound levels and scattering matrix elements are determined with spectral accuracy using relatively small number of points. The scattering problem is cast as a linear… 
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