Spectral convergence of the quadrature discretization method in the solution of the Schrodinger and Fokker-Planck equations: comparison with sinc methods.
Spectral methods based on nonclassical polynomials and Fourier basis functions or sinc interpolation techniques are compared for several eigenvalue problems for the Fokker-Planck and Schrodinger equations. A very rapid spectral convergence of the eigenvalues versus the number of quadrature points is obtained with the quadrature discretization method (QDM) and the appropriate choice of the weight function. The QDM is a pseudospectral method and the rate of convergence is compared with the sinc method reported by Wei [J. Chem. Phys., 110, 8930 (1999)]. In general, sinc methods based on Fourier basis functions with a uniform grid provide a much slower convergence. The paper considers Fokker-Planck equations (and analogous Schrodinger equations) for the thermalization of electrons in atomic moderators and for a quartic potential employed to model chemical reactions. The solution of the Schrodinger equation for the vibrational states of I2 with a Morse potential is also considered.
Lo
Joseph
J
Institute of Applied Mathematics, University of British Columbia, Vancouver, British Columbia V6T 1Z1, Canada. qwlo@iam.ubc.ca
Shizgal
Bernie D
BD