Accelerated convergence for Schrödinger equations with non-smooth potentials
PDEs in connection with quantum mechanics (35Q40) Time-dependent Schrödinger equations and Dirac equations (35Q41) Stability and convergence of numerical methods for initial value and initial-boundary value problems involving PDEs (65M12) Spectral, collocation and related methods for initial value and initial-boundary value problems involving PDEs (65M70)
The paper aims to develop an improved numerical algorithm for the fundamental three-dimensional Schrödinger equation for the hydrogen atom in a variable (ac) external uniform electric field. Due to the cylindrical symmetry, the equation is reduced to a quasi-two-dimensional form. It is known that the singularity of the Coulomb potential in this equation is an obstacle for fast convergence of the numerical method based in the Fourier collocation. The author develops a new approach, which includes a specially devised ``corrector. This makes it possible to improve the convergence of the Fourier collocation method from the second to fourth order. An example is included, dealing with the ionization of atoms by a strong ac electromagnetic field. It is argued that the method may also be applied to multi-electron atoms, using the effective-field approximation.
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