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International audienceWe apply the spectral element method to the determination of scattering and bound states of themultichannel Schrodinger equation. In our approach, the reaction coordinate is discretized on a gridof 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 spectralaccuracy using relatively small number of points. The scattering problem is cast as a linear sys-tem solved using state-of-the-art sparse matrix non-iterative packages. Boundary conditions can beimposed so as to compute a single column of the matrix solution. A comparison with log-derivativepropagators customarily used in molecular physics is performed. The same discretization scheme canalso be applied to bound levels that are computed using direct scalable sparse-matrix solvers

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