Magnus-Lanczos methods with simplified commutators for the Schr\"odinger equation with a time-dependent potential

The computation of the Schr\"odinger equation featuring time-dependent potentials is of great importance in quantum control of atomic and molecular processes. These applications often involve highly oscillatory potentials and require inexpensive but accurate solutions over large spatio-temporal windows. In this work we develop Magnus expansions where commutators have been simplified. Consequently, the exponentiation of these Magnus expansions via Lanczos iterations is significantly cheaper than that for traditional Magnus expansions. At the same time, and unlike most competing methods, we simplify integrals instead of discretising them via quadrature at the outset -- this gives us the flexibility to handle a variety of potentials, being particularly effective in the case of highly oscillatory potentials, where this strategy allows us to consider significantly larger time steps.Comment: 27 pages, 5 figure

Solution of second kind Fredholm integral equations by means of Gauss and anti-Gauss quadrature rules

This paper is concerned with the numerical approximation of Fredholm integral equa- tions of the second kind. A Nyström method based on the anti-Gauss quadrature formula is developed and investigated in terms of stability and convergence in appro- priate weighted spaces. The Nyström interpolants corresponding to the Gauss and the anti-Gauss quadrature rules are proved to furnish upper and lower bounds for the solution of the equation, under suitable assumptions which are easily verified for a particular weight function. Hence, an error estimate is available, and the accuracy of the solution can be improved by approximating it by an averaged Nyström interpolant. The effectiveness of the proposed approach is illustrated through different numerical tests

Fast and spectrally accurate summation of 2-periodic Stokes potentials

We derive a Ewald decomposition for the Stokeslet in planar periodicity and a novel PME-type O(N log N) method for the fast evaluation of the resulting sums. The decomposition is the natural 2P counterpart to the classical 3P decomposition by Hasimoto, and is given in an explicit form not found in the literature. Truncation error estimates are provided to aid in selecting parameters. The fast, PME-type, method appears to be the first fast method for computing Stokeslet Ewald sums in planar periodicity, and has three attractive properties: it is spectrally accurate; it uses the minimal amount of memory that a gridded Ewald method can use; and provides clarity regarding numerical errors and how to choose parameters. Analytical and numerical results are give to support this. We explore the practicalities of the proposed method, and survey the computational issues involved in applying it to 2-periodic boundary integral Stokes problems