Publications [#235134] of Weitao Yang

Journal Articles
  1. Yang, W; Miller, WH, Block Lanczos approach combined with matrix continued fraction for the S-matrix Kohn variational principle in quantum scattering, The Journal of Chemical Physics, vol. 91 no. 6 (1989), pp. 3504-3508 .

    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.