Accurate and efficient numerical methods for computing ground states and dynamics of dipolar Bose-Einstein condensates via the nonuniform FFT

In this paper, we propose efficient and accurate numerical methods for computing the ground state and dynamics of the dipolar Bose-Einstein condensates utilising a newly developed dipole-dipole interaction (DDI) solver that is implemented with the non-uniform fast Fourier transform (NUFFT) algorithm. We begin with the three-dimensional (3D) Gross-Pitaevskii equation (GPE) with a DDI term and present the corresponding two-dimensional (2D) model under a strongly anisotropic confining potential. Different from existing methods, the NUFFT based DDI solver removes the singularity by adopting the spherical/polar coordinates in Fourier space in 3D/2D, respectively, thus it can achieve spectral accuracy in space and simultaneously maintain high efficiency by making full use of FFT and NUFFT whenever it is necessary and/or needed. Then, we incorporate this solver into existing successful methods for computing the ground state and dynamics of GPE with a DDI for dipolar BEC. Extensive numerical comparisons with existing methods are carried out for computing the DDI, ground states and dynamics of the dipolar BEC. Numerical results show that our new methods outperform existing methods in terms of both accuracy and efficiency.Comment: 26 pages, 5 figure

On the ground states and dynamics of space fractional nonlinear Schr\"{o}dinger/Gross-Pitaevskii equations with rotation term and nonlocal nonlinear interactions

In this paper, we propose some efficient and robust numerical methods to compute the ground states and dynamics of Fractional Schr\"{o}dinger Equation (FSE) with a rotation term and nonlocal nonlinear interactions. In particular, a newly developed Gaussian-sum (GauSum) solver is used for the nonlocal interaction evaluation \cite{EMZ2015}. To compute the ground states, we integrate the preconditioned Krylov subspace pseudo-spectral method \cite{AD1} and the GauSum solver. For the dynamics simulation, using the rotating Lagrangian coordinates transform \cite{BMTZ2013}, we first reformulate the FSE into a new equation without rotation. Then, a time-splitting pseudo-spectral scheme incorporated with the GauSum solver is proposed to simulate the new FSE

A uniformly accurate (UA) multiscale time integrator pseudospectral method for the Dirac equation in the nonrelativistic limit regime

We propose and rigourously analyze a multiscale time integrator Fourier pseudospectral (MTI-FP) method for the Dirac equation with a dimensionless parameter $\varepsilon\in(0,1]$ which is inversely proportional to the speed of light. In the nonrelativistic limit regime, i.e. $0<\varepsilon\ll 1$, the solution exhibits highly oscillatory propagating waves with wavelength $O(\varepsilon^2)$ and $O(1)$ in time and space, respectively. Due to the rapid temporal oscillation, it is quite challenging in designing and analyzing numerical methods with uniform error bounds in $\varepsilon\in(0,1]$. We present the MTI-FP method based on properly adopting a multiscale decomposition of the solution of the Dirac equation and applying the exponential wave integrator with appropriate numerical quadratures. By a careful study of the error propagation and using the energy method, we establish two independent error estimates via two different mathematical approaches as $h^{m_0}+\frac{\tau^2}{\varepsilon^2}$ and $h^{m_0}+\tau^2+\varepsilon^2$, where $h$ is the mesh size, $\tau$ is the time step and $m_0$ depends on the regularity of the solution. These two error bounds immediately imply that the MTI-FP method converges uniformly and optimally in space with exponential convergence rate if the solution is smooth, and uniformly in time with linear convergence rate at $O(\tau)$ for all $\varepsilon\in(0,1]$ and optimally with quadratic convergence rate at $O(\tau^2)$ in the regimes when either $\varepsilon=O(1)$ or $0<\varepsilon\lesssim \tau$. Numerical results are reported to demonstrate that our error estimates are optimal and sharp. Finally, the MTI-FP method is applied to study numerically the convergence rates of the solution of the Dirac equation to those of its limiting models when $\varepsilon\to0^+$.Comment: 25 pages, 1 figur

Numerical methods and comparison for the Dirac equation in the nonrelativistic limit regime

We analyze rigorously error estimates and compare numerically spatial/temporal resolution of various numerical methods for the discretization of the Dirac equation in the nonrelativistic limit regime, involving a small dimensionless parameter $0<\varepsilon\ll 1$ which is inversely proportional to the speed of light. In this limit regime, the solution is highly oscillatory in time, i.e. there are propagating waves with wavelength $O(\varepsilon^2)$ and $O(1)$ in time and space, respectively. We begin with several frequently used finite difference time domain (FDTD) methods and obtain rigorously their error estimates in the nonrelativistic limit regime by paying particular attention to how error bounds depend explicitly on mesh size $h$ and time step $\tau$ as well as the small parameter $\varepsilon$. Based on the error bounds, in order to obtain `correct' numerical solutions in the nonrelativistic limit regime, i.e. $0<\varepsilon\ll 1$, the FDTD methods share the same $\varepsilon$-scalability on time step: $\tau=O(\varepsilon^3)$. Then we propose and analyze two numerical methods for the discretization of the Dirac equation by using the Fourier spectral discretization for spatial derivatives combined with the exponential wave integrator and time-splitting technique for temporal derivatives, respectively. Rigorous error bounds for the two numerical methods show that their $\varepsilon$-scalability on time step is improved to $\tau=O(\varepsilon^2)$ when $0<\varepsilon\ll 1$. Extensive numerical results are reported to support our error estimates.Comment: 34 pages, 2 figures. arXiv admin note: substantial text overlap with arXiv:1511.0119

Perfectly Matched Layer for computing the dynamics of nonlinear Schrödinger equations by pseudospectral methods. Application to rotating Bose-Einstein condensates

In this paper, we first propose a general strategy to implement the Perfectly Matched Layer (PML) approach in the most standard numerical schemes used for simulating the dynamics of nonlinear Schrödinger equations. The methods are based on the time-splitting [15] or relaxation [24] schemes in time, and finite element or FFT-based pseudospectral discretization methods in space. A thorough numerical study is developed for linear and nonlinear problems to understand how the PML approach behaves (absorbing function and tuning parameters) for a given scheme. The extension to the rotating Gross-Pitaevskii equation is then proposed by using the rotating Lagrangian coordinates transformation method [13, 16, 39], some numerical simulations illustrating the strength of the proposed approach

Numerical studies on quantized vortex dynamics in superfludity and superconductivity

Ph.DDOCTOR OF PHILOSOPH

Computing the ground state and dynamics of the nonlinear Schrödinger equation with nonlocal interactions via the nonuniform FFT

International audienceWe present efficient and accurate numerical methods for computing the ground state and dynamics of the nonlinear Schrödinger equation (NLSE) with nonlocal interactions based on a fast and accurate evaluation of the long-range interactions via the nonuniform fast Fourier transform (NUFFT). We begin with a review of the fast and accurate NUFFT based method in [29] for nonlocal interactions where the singularity of the Fourier symbol of the interaction kernel at the origin can be canceled by switching to spherical or polar coordinates. We then extend the method to compute other nonlocal interactions whose Fourier symbols have stronger singularity at the origin that cannot be canceled by the coordinate transform. Many of these interactions do not decay at infinity in the physical space, which adds another layer of complexity since it is more difficult to impose the correct artificial boundary conditions for the truncated bounded computational domain. The performance of our method against other existing methods is illustrated numerically, with particular attention on the effect of the size of the computational domain in the physical space. Finally, to study the ground state and dynamics of the NLSE, we propose efficient and accurate numerical methods by combining the NUFFT method for potential evaluation with the normalized gradient flow using backward Euler Fourier pseudospectral discretization and time-splitting Fourier pseudospectral method, respectively. Extensive numerical comparisons are carried out between these methods and other existing methods for computing the ground state and dynamics of the NLSE with various nonlocal interactions. Numerical results show that our scheme performs much better than those existing methods in terms of both accuracy and efficiency

Bootstrapping octagons in reduced kinematics from A2A_2 cluster algebras

Multi-loop scattering amplitudes/null polygonal Wilson loops in ${\mathcal N}=4$ super-Yang-Mills are known to simplify significantly in reduced kinematics, where external legs/edges lie in an $1+1$ dimensional subspace of Minkowski spacetime (or boundary of the $\rm AdS_3$ subspace). Since the edges of a $2n$-gon with even and odd labels go along two different null directions, the kinematics is reduced to two copies of $G(2,n)/T \sim A_{n{-}3}$. In the simplest octagon case, we conjecture that all loop amplitudes and Feynman integrals are given in terms of two overlapping $A_2$ functions (a special case of two-dimensional harmonic polylogarithms): in addition to the letters $v, 1+v, w, 1+w$ of $A_1 \times A_1$, there are two letters $v-w, 1- v w$ mixing the two sectors but they never appear together in the same term; these are the reduced version of four-mass-box algebraic letters. Evidence supporting our conjecture includes all known octagon amplitudes as well as new computations of multi-loop integrals in reduced kinematics. By leveraging this alphabet and conditions on first and last entries, we initiate a bootstrap program in reduced kinematics: within the remarkably simple space of overlapping $A_2$ functions, we easily obtain octagon amplitudes up to two-loop NMHV and three-loop MHV. We also briefly comment on the generalization to $2n$-gons in terms of $A_2$ functions and beyond.Comment: 26 pages, several figures and tables, an ancilary fil