Accuracy of a new hybrid finite element method for solving a scattering Schroedinger equation

Abstract

This hybrid method (FE-DVR), introduced by Resigno and McCurdy, Phys. Rev. A 62, 032706 (2000), uses Lagrange polynomials in each partition, rather than "hat" functions or Gaussian functions. These polynomials are discrete variable representation functions, and are.orthogonal under the Gauss-Lobatto quadrature discretization approximation. Accuracy analyses of this method are performed for the case of a one dimensional Schroedinger equation with various types of local and nonlocal potentials for scattering boundary conditions. The accuracy is ascertained by comparison with a spectral Chebyshev integral equation method, accurate to 1:10^(-11). For an accuracy of the phase shift of 1:10^(-8) The FE-DVR method is found to be 100 times faster than a sixth order finite difference method (Numerov), is easy to program, and can routinely achieve an accuracy of better than 1:10^(-8) for the numerical examples studied.