Publications [#235127] of Weitao Yang

Journal Articles
  1. Crawford, TD; Yang, W, The Hartley basis functions and transform: alternatives to plane waves and the Fourier transform, Chemical Physics Letters, vol. 192 no. 1 (1992), pp. 45-48 .

    Abstract:
    The Hartley "cas" basis functions are presented as alternatives to the well-known plane waves in electronic structure and molecular dynamics calculations. The cas functions are real, amenable to a fast transform, and thus offer the advantage of improved computational efficiency. The basis functions are tested in the calculation of the energy eigenvalues of a Morse oscillator, and are found to give results equal in accuracy to the plane waves. © 1992.