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, J. Chem. Phys., vol. 91 no. 6 (1989), pp. 3504, AIP Publishing, ISSN 0021-9606 [doi]
   (last updated on 2026/01/16)

   Abstract:
   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.