Global integration of the Schr\"odinger equation: a short iterative scheme within the wave operator formalism using discrete Fourier transforms

A global solution of the Schr\"odinger equation for explicitly time-dependent Hamiltonians is derived by integrating the non-linear differential equation associated with the time-dependent wave operator. A fast iterative solution method is proposed in which, however, numerous integrals over time have to be evaluated. This internal work is done using a numerical integrator based on Fast Fourier Transforms (FFT). The case of a transition between two potential wells of a model molecule driven by intense laser pulses is used as an illustrative example. This application reveals some interesting features of the integration technique. Each iteration provides a global approximate solution on grid points regularly distributed over the full time propagation interval. Inside the convergence radius, the complete integration is competitive with standard algorithms, especially when high accuracy is required.Comment: 25 pages, 14 figure

High-order numerical method for the nonlinear Helmholtz equation with material discontinuities in one space dimension

The nonlinear Helmholtz equation (NLH) models the propagation of electromagnetic waves in Kerr media, and describes a range of important phenomena in nonlinear optics and in other areas. In our previous work, we developed a fourth order method for its numerical solution that involved an iterative solver based on freezing the nonlinearity. The method enabled a direct simulation of nonlinear self-focusing in the nonparaxial regime, and a quantitative prediction of backscattering. However, our simulations showed that there is a threshold value for the magnitude of the nonlinearity, above which the iterations diverge. In this study, we numerically solve the one-dimensional NLH using a Newton-type nonlinear solver. Because the Kerr nonlinearity contains absolute values of the field, the NLH has to be recast as a system of two real equations in order to apply Newton's method. Our numerical simulations show that Newton's method converges rapidly and, in contradistinction with the iterations based on freezing the nonlinearity, enables computations for very high levels of nonlinearity. In addition, we introduce a novel compact finite-volume fourth order discretization for the NLH with material discontinuities.The one-dimensional results of the current paper create a foundation for the analysis of multi-dimensional problems in the future.Comment: 47 pages, 8 figure

Documentation of nearshore interactive wave - current - topography change models

This report is to document the programs my colleague and I developed for computing time-dependent nearshore hydrographic changes including beach profile responses. The time scale of the model is suitable for storm events to seasonal changes, currently up to one year period. The model is very stable and is capable of handling complicated topographies including inlets and irregularly-shaped structures such as curved jetties and breakwaters. The purpose of three-dimensional models is to predict the change of bottom topography from the spatial distribution of the sediment transport rates, which are evaluated from the nearshore wave and current fields computed point by point in small areas defined by a horizontal grid placed over the region of interest. Models of 3-D beach topography change require much fewer idealizations than do the line models. (Document has 43 pages.

Fourier Method for Approximating Eigenvalues of Indefinite Stekloff Operator

We introduce an efficient method for computing the Stekloff eigenvalues associated with the Helmholtz equation. In general, this eigenvalue problem requires solving the Helmholtz equation with Dirichlet and/or Neumann boundary condition repeatedly. We propose solving the related constant coefficient Helmholtz equation with Fast Fourier Transform (FFT) based on carefully designed extensions and restrictions of the equation. The proposed Fourier method, combined with proper eigensolver, results in an efficient and clear approach for computing the Stekloff eigenvalues.Comment: 12 pages, 4 figure

An explicit unconditionally stable numerical method for solving damped nonlinear Schr\"{o}dinger equations with a focusing nonlinearity

This paper introduces an extension of the time-splitting sine-spectral (TSSP) method for solving damped focusing nonlinear Schr\"{o}dinger equations (NLS). The method is explicit, unconditionally stable and time transversal invariant. Moreover, it preserves the exact decay rate for the normalization of the wave function if linear damping terms are added to the NLS. Extensive numerical tests are presented for cubic focusing nonlinear Schr\"{o}dinger equations in 2d with a linear, cubic or a quintic damping term. Our numerical results show that quintic or cubic damping always arrests blowup, while linear damping can arrest blowup only when the damping parameter \dt is larger than a threshold value \dt_{\rm th}. We note that our method can also be applied to solve the 3d Gross-Pitaevskii equation with a quintic damping term to model the dynamics of a collapsing and exploding Bose-Einstein condensate (BEC).Comment: SIAM Journal on Numerical Analysis, to appea

Near-optimal perfectly matched layers for indefinite Helmholtz problems

A new construction of an absorbing boundary condition for indefinite Helmholtz problems on unbounded domains is presented. This construction is based on a near-best uniform rational interpolant of the inverse square root function on the union of a negative and positive real interval, designed with the help of a classical result by Zolotarev. Using Krein's interpretation of a Stieltjes continued fraction, this interpolant can be converted into a three-term finite difference discretization of a perfectly matched layer (PML) which converges exponentially fast in the number of grid points. The convergence rate is asymptotically optimal for both propagative and evanescent wave modes. Several numerical experiments and illustrations are included.Comment: Accepted for publication in SIAM Review. To appear 201