On the numerical evaluation of algebro-geometric solutions to integrable equations

Physically meaningful periodic solutions to certain integrable partial differential equations are given in terms of multi-dimensional theta functions associated to real Riemann surfaces. Typical analytical problems in the numerical evaluation of these solutions are studied. In the case of hyperelliptic surfaces efficient algorithms exist even for almost degenerate surfaces. This allows the numerical study of solitonic limits. For general real Riemann surfaces, the choice of a homology basis adapted to the anti-holomorphic involution is important for a convenient formulation of the solutions and smoothness conditions. Since existing algorithms for algebraic curves produce a homology basis not related to automorphisms of the curve, we study symplectic transformations to an adapted basis and give explicit formulae for M-curves. As examples we discuss solutions of the Davey-Stewartson and the multi-component nonlinear Schr\"odinger equations.Comment: 29 pages, 20 figure

Palindromic 3-stage splitting integrators, a roadmap

The implementation of multi-stage splitting integrators is essentially the same as the implementation of the familiar Strang/Verlet method. Therefore multi-stage formulas may be easily incorporated into software that now uses the Strang/Verlet integrator. We study in detail the two-parameter family of palindromic, three-stage splitting formulas and identify choices of parameters that may outperform the Strang/Verlet method. One of these choices leads to a method of effective order four suitable to integrate in time some partial differential equations. Other choices may be seen as perturbations of the Strang method that increase efficiency in molecular dynamics simulations and in Hybrid Monte Carlo sampling.Comment: 20 pages, 8 figures, 2 table

Quantum Mechanics Unscrambled

Is quantum mechanics about 'states'? Or is it basically another kind of probability theory? It is argued that the elementary formalism of quantum mechanics operates as a well-justified alternative to 'classical' instantiations of a probability calculus. Its providing a general framework for prediction accounts for its distinctive traits, which one should be careful not to mistake for reflections of any strange ontology. The suggestion is also made that quantum theory unwittingly emerged, in Schroedinger's formulation, as a 'lossy' by-product of a quantum-mechanical variant of the Hamilton-Jacobi equation. As it turns out, the effectiveness of quantum theory qua predictive algorithm makes up for the computational impracticability of that master equation.Comment: 25 pages, no figures, final versio

Fourth order real space solver for the time-dependent Schr\"odinger equation with singular Coulomb potential

We present a novel numerical method and algorithm for the solution of the 3D axially symmetric time-dependent Schr\"odinger equation in cylindrical coordinates, involving singular Coulomb potential terms besides a smooth time-dependent potential. We use fourth order finite difference real space discretization, with special formulae for the arising Neumann and Robin boundary conditions along the symmetry axis. Our propagation algorithm is based on merging the method of the split-operator approximation of the exponential operator with the implicit equations of second order cylindrical 2D Crank-Nicolson scheme. We call this method hybrid splitting scheme because it inherits both the speed of the split step finite difference schemes and the robustness of the full Crank-Nicolson scheme. Based on a thorough error analysis, we verified both the fourth order accuracy of the spatial discretization in the optimal spatial step size range, and the fourth order scaling with the time step in the case of proper high order expressions of the split-operator. We demonstrate the performance and high accuracy of our hybrid splitting scheme by simulating optical tunneling from a hydrogen atom due to a few-cycle laser pulse with linear polarization

A time-splitting pseudospectral method for the solution of the Gross-Pitaevskii equations using spherical harmonics with generalised-Laguerre basis functions

We present a method for numerically solving a Gross-Pitaevskii system of equations with a harmonic and a toroidal external potential that governs the dynamics of one- and two-component Bose-Einstein condensates. The method we develop maintains spectral accuracy by employing Fourier or spherical harmonics in the angular coordinates combined with generalised-Laguerre basis functions in the radial direction. Using an error analysis, we show that the method presented leads to more accurate results than one based on a sine transform in the radial direction when combined with a time-splitting method for integrating the equations forward in time. In contrast to a number of previous studies, no assumptions of radial or cylindrical symmetry is assumed allowing the method to be applied to 2D and 3D time-dependent simulations. This is accomplished by developing an efficient algorithm that accurately performs the generalised-Laguerre transforms of rotating Bose-Einstein condensates for different orders of the Laguerre polynomials. Using this spatial discretisation together with a second order Strang time-splitting method, we illustrate the scheme on a number of 2D and 3D computations of the ground state of a non-rotating and rotating condensate. Comparisons between previously derived theoretical results for these ground state solutions and our numerical computations show excellent agreement for these benchmark problems. The method is further applied to simulate a number of time-dependent problems including the Kelvin-Helmholtz instability in a two-component rotating condensate and the motion of quantised vortices in a 3D condensate