Block Lanczos approach combined with matrix continued fraction for the S-matrix Kohn variational principle in quantum scattering
An iterative method is proposed for calculating the S matrix in the Kohn variational approach. Instead of solving the system of linear equations directly, the method consists of a block Lanczos algorithm extended to complex symmetric matrices and a matrix continued fraction procedure. Applications to inelastic and reactive scattering calculations indicate a reasonable rate of convergence. © 1989 American Institute of Physics.
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