98.0NAJun 1
An energy-stable parametric finite element method for the Willmore flow in three dimensionsWeizhu Bao, Yifei Li, Dongmin Wang
This work develops novel energy-stable parametric finite element methods (ES-PFEM) for the Willmore flow and curvature-dependent geometric gradient flows of surfaces in three dimensions. The key to achieving the energy stability lies in the use of two novel geometric identities: (i) a reformulated variational form of the normal velocity field, and (ii) incorporation of the temporal evolution of the mean curvature into the governing equations. These identities enable the derivation of a new variational formulation. By using the parametric finite element method, an implicit fully discrete scheme is subsequently developed, which maintains the energy dissipative property at the fully discrete level. Based on the ES-PFEM, comprehensive insights into the design of ES-PFEM for general curvature-dependent geometric gradient flows and a new understanding of mesh quality improvement in PFEM are provided. In particular, we develop the first PFEM for the Gauss curvature flow of surfaces. Furthermore, a tangential velocity control methodology is applied to improve the mesh quality and enhance the robustness of the proposed numerical method. Extensive numerical experiments confirm that the proposed method preserves energy dissipation properties and maintain good mesh quality in the surface evolution under the Willmore flow.
NAJan 19, 2016
A uniformly accurate (UA) multiscale time integrator pseudospectral method for the Dirac equation in the nonrelativistic limit regimeWeizhu Bao, Yongyong Cai, Xiaowei Jia et al.
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 $h^{m_0}+\frac{τ^2}{\varepsilon^2}$ and $h^{m_0}+τ^2+\varepsilon^2$, where $h$ is the mesh size, $τ$ 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 $O(τ)$ for all $\varepsilon\in(0,1]$ and optimally with quadratic convergence rate at $O(τ^2)$ in the regimes when either $\varepsilon=O(1)$ or $0<\varepsilon\lesssim τ$. 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 $\varepsilon\to0^+$.
NAMay 5, 2016
Error estimates of numerical methods for the nonlinear Dirac equation in the nonrelativistic limit regimeWeizhu Bao, Yongyong Cai, Xiaowei Jia et al.
We present several numerical methods and establish their error estimates for the discretization of the nonlinear 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 the conservative Crank-Nicolson finite difference (CNFD) method and establish rigorously its error estimate which depends explicitly on the mesh size $h$ and time step $τ$ as well as the small parameter $0<\varepsilon\le 1$. Based on the error bound, in order to obtain `correct' numerical solutions in the nonrelativistic limit regime, i.e. $0<\varepsilon\ll 1$, the CNFD method requests the $\varepsilon$-scalability: $τ=O(\varepsilon^3)$ and $h=O(\sqrt{\varepsilon})$. Then we propose and analyze two numerical methods for the discretization of the nonlinear 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 is improved to $τ=O(\varepsilon^2)$ and $h=O(1)$ when $0<\varepsilon\ll 1$ compared with the CNFD method. Extensive numerical results are reported to confirm our error estimates.
NAFeb 21, 2016
Numerical methods and comparison for the Dirac equation in the nonrelativistic limit regimeWeizhu Bao, Yongyong Cai, Xiaowei Jiao et al.
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 $τ$ 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: $τ=O(\varepsilon^3)$. 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 $τ=O(\varepsilon^2)$ when $0<\varepsilon\ll 1$. Extensive numerical results are reported to support our error estimates.
NAMar 27, 2018
Error estimates of a regularized finite difference method for the logarithmic Schrödinger equationWeizhu Bao, Remi Carles, Chunmei Su et al.
We present a regularized finite difference method for the logarithmic Schrödinger equation (LogSE) and establish its error bound. Due to the blow-up of the logarithmic nonlinearity, i.e. $\ln ρ\to -\infty$ when $ρ\rightarrow 0^+$ with $ρ=|u|^2$ being the density and $u$ being the complex-valued wave function or order parameter, there are significant difficulties in designing numerical methods and establishing their error bounds for the LogSE. In order to suppress the round-off error and to avoid blow-up, a regularized logarithmic Schrödinger equation (RLogSE) is proposed with a small regularization parameter $0<\varepsilon\ll 1$ and linear convergence is established between the solutions of RLogSE and LogSE in term of $\varepsilon$. Then a semi-implicit finite difference method is presented for discretizing the RLogSE and error estimates are established in terms of the mesh size $h$ and time step $τ$ as well as the small regularization parameter $\varepsilon$. Finally numerical results are reported to confirm our error bounds.
NAMar 24, 2019
Comparison of numerical methods for the nonlinear Klein-Gordon equation in the nonrelativistic limit regimeWeizhu Bao
Different efficient and accurate numerical methods have recently been proposed and analyzed for the nonlinear Klein-Gordon equation (NKGE) with a dimensionless parameter $\varepsilon\in (0,1]$, which is inversely proportional to the speed of light. In the nonrelativestic limit regime, i.e. $0<\varepsilon\ll1$, the solution of the NKGE propagates waves with wavelength at $O(1)$ and $O(\varepsilon^2)$ in space and time, respectively, which brings significantly numerical burdens in designing numerical methods. We compare systematically spatial/temporal efficiency and accuracy as well as $\varepsilon$-resolution (or $\varepsilon$-scalability) of different numerical methods including finite difference time domain methods, time-splitting method, exponential wave integrator, limit integrator, multiscale time integrator, two-scale formulation method and iterative exponential integrator. Finally, we adopt the multiscale time integrator to study the convergence rates from the NKGE to its limiting models when $\varepsilon\to0^+$.
NANov 30, 2018
Regularized numerical methods for the logarithmic Schrodinger equationWeizhu Bao, Rémi Carles, Chunmei Su et al.
We present and analyze two numerical methods for the logarithmic Schr{ö}dinger equation (LogSE) consisting of a regularized splitting method and a regularized conservative Crank-Nicolson finite difference method (CNFD). In order to avoid numerical blow-up and/or to suppress round-off error due to the logarithmic nonlinearity in the LogSE, a regularized logarithmic Schr{ö}dinger equation (RLogSE) with a small regularized parameter 0 < $ε$ $\ll$ 1 is adopted to approximate the LogSE with linear convergence rate O($ε$). Then we use the Lie-Trotter splitting integrator to solve the RLogSE and establish its error bound O($τ$ 1/2 ln($ε$ --1)) with $τ$ > 0 the time step, which implies an error bound at O($ε$ + $τ$ 1/2 ln($ε$ --1)) for the LogSE by the Lie-Trotter splitting method. In addition, the CNFD is also applied to discretize the RLogSE, which conserves the mass and energy in the discretized level. Numerical results are reported to confirm our error bounds and to demonstrate rich and complicated dynamics of the LogSE.
NAFeb 14, 2014
Uniformly accurate multiscale time integrators for highly oscillatory second order differential equationsWeizhu Bao, Xuanchun Dong, Xiaofei Zhao
In this paper, two multiscale time integrators (MTIs), motivated from two types of multiscale decomposition by either frequency or frequency and amplitude, are proposed and analyzed for solving highly oscillatory second order differential equations with a dimensionless parameter $0<\varepsilon\le1$. In fact, the solution to this equation propagates waves with wavelength at $O(\varepsilon^2)$ when $0<\varepsilon\ll 1$, which brings significantly numerical burdens in practical computation. We rigorously establish two independent error bounds for the two MTIs at $O(τ^2/\varepsilon^2)$ and $O(\varepsilon^2)$ for $\varepsilon\in(0,1]$ with $τ>0$ as step size, which imply that the two MTIs converge uniformly with linear convergence rate at $O(τ)$ for $\varepsilon\in(0,1]$ and optimally with quadratic convergence rate at $O(τ^2)$ in the regimes when either $\varepsilon=O(1)$ or $0<\varepsilon\le τ$. Thus the meshing strategy requirement (or $\varepsilon$-scalability) of the two MTIs is $τ=O(1)$ for $0<\varepsilon\ll 1$, which is significantly improved from $τ=O(\varepsilon^3)$ and $τ=O(\varepsilon^2)$ requested by finite difference methods and exponential wave integrators to the equation, respectively. Extensive numerical tests and comparisons with those classical numerical integrators are reported, which gear towards better understanding on the convergence and resolution properties of the two MTIs. In addition, numerical results support the two error bounds very well.
NAMar 4, 2019
Long time error analysis of finite difference time domain methods for the nonlinear Klein-Gordon equation with weak nonlinearityWeizhu Bao, Yue Feng, Wenfan Yi
We establish error bounds of the finite difference time domain (FDTD) methods for the long time dynamics of the nonlinear Klein-Gordon equation (NKGE) with a cubic nonlinearity, while the nonlinearity strength is characterized by $\varepsilon^2$ with $0 <\varepsilon \leq 1$ a dimensionless parameter. When $0 < \varepsilon \ll 1$, it is in the weak nonlinearity regime and the problem is equivalent to the NKGE with small initial data, while the amplitude of the initial data (and the solution) is at $O(\varepsilon)$. Four different FDTD methods are adapted to discretize the problem and rigorous error bounds of the FDTD methods are established for the long time dynamics, i.e. error bounds are valid up to the time at $O(1/\varepsilon^β)$ with $0 \le β\leq 2$, by using the energy method and the techniques of either the cut-off of the nonlinearity or the mathematical induction to bound the numerical approximate solutions. In the error bounds, we pay particular attention to how error bounds depend explicitly on the mesh size $h$ and time step $τ$ as well as the small parameter $\varepsilon\in (0,1]$, especially in the weak nonlinearity regime when $0 < \varepsilon \ll 1$. Our error bounds indicate that, in order to get ``correct'' numerical solutions up to the time at $O(1/\varepsilon^β)$, the $\varepsilon$-scalability (or meshing strategy) of the FDTD methods should be taken as: $h = O(\varepsilon^{β/2})$ and $τ= O(\varepsilon^{β/2})$. Extensive numerical results are reported to confirm our error bounds and to demonstrate that they are sharp.
NAApr 24, 2018
A fourth-order compact time-splitting Fourier pseudospectral method for the Dirac equationWeizhu Bao, Jia Yin
We propose a new fourth-order compact time-splitting ($S_\text{4c}$) Fourier pseudospectral method for the Dirac equation by splitting the Dirac equation into two parts together with using the double commutator between them to integrate the Dirac equation at each time interval. The method is explicit, fourth-order in time and spectral order in space. It is unconditional stable and conserves the total density in the discretized level. It is called a compact time-splitting method since, at each time step, the number of sub-steps in $S_\text{4c}$ is much less than those of the standard fourth-order splitting method and the fourth-order partitioned Runge-Kutta splitting method. Comparison among $S_\text{4c}$ and many other existing time-splitting methods for the Dirac equation are carried out in terms of accuracy and efficiency as well as long time behavior. Numerical results demonstrate the advantage in terms of efficiency and accuracy of the proposed $S_\text{4c}$. Finally we report the spatial/temporal resolutions of $S_\text{4c}$ for the Dirac equation in different parameter regimes including the nonrelativistic limit regime, the semiclassical limit regime, and the simultaneously nonrelativisic and massless limit regime.
NANov 22, 2017
Uniform error bounds of a finite difference method for the Klein-Gordon-Zakharov system in the subsonic limit regimeWeizhu Bao, Chunmei Su
We establish uniform error bounds of a finite difference method for the Klein-Gordon-Zakharov system (KGZ) with a dimensionless parameter $\varepsilon \in (0,1]$, which is inversely proportional to the acoustic speed. In the subsonic limit regime, i.e. $0<\varepsilon \ll 1$, the solution propagates highly oscillatory waves in time and/or rapid outgoing initial layers in space due to the singular perturbation in the Zakharov equation and/or the incompatibility of the initial data. Specifically, the solution propagates waves with $O(\varepsilon)$-wavelength in time and $O(1)$-wavelength in space as well as outgoing initial layers in space at speed $O(1/\varepsilon)$. This high oscillation in time and rapid outgoing waves in space of the solution cause significant burdens in designing numerical methods and establishing error estimates for KGZ. By adapting an asymptotic consistent formulation, we propose a uniformly accurate finite difference method and rigorously establish two independent error bounds at $O(h^2+τ^2/\varepsilon)$ and $O(h^2+τ+\varepsilon)$ with $h$ mesh size and $τ$ time step. Thus we obtain a uniform error bound at $O(h^2+τ)$ for $0<\varepsilon\le 1$. The main techniques in the analysis include the energy method, cut-off of the nonlinearity to bound the numerical solution, the integral approximation of the oscillatory term, and $\varepsilon$-dependent error bounds between the solutions of KGZ and its limiting model when $\varepsilon\to0^+$. Finally, numerical results are reported to confirm our error bounds.
NAApr 16, 2016
Uniform error bounds of a finite difference method for the Zakharov system in the subsonic limit regime via an asymptotic consistent formulationWeizhu Bao, Chunmei Su
We present a uniformly accurate finite difference method and establish rigorously its uniform error bounds for the Zakharov system (ZS) with a dimensionless parameter $0<\varepsilon\le 1$, which is inversely proportional to the speed of sound. In the subsonic limit regime, i.e., $0<\varepsilon\ll 1$, the solution propagates highly oscillatory waves and/or rapid outgoing initial layers due to the perturbation of the wave operator in ZS and/or the incompatibility of the initial data which is characterized by two nonnegative parameters $α$ and $β$. Specifically, the solution propagates waves with $O(\varepsilon)$- and $O(1)$-wavelength in time and space, respectively, and amplitude at $O(\varepsilon^{\min\{2,α,1+β\}})$ and $O(\varepsilon^α)$ for well-prepared ($α\ge1$) and ill-prepared ($0\le α<1$) initial data, respectively. This high oscillation of the solution in time brings significant difficulties in designing numerical methods and establishing their error bounds, especially in the subsonic limit regime. A uniformly accurate finite difference method is proposed by reformulating ZS into an asymptotic consistent formulation and adopting an integral approximation of the oscillatory term. By adapting the energy method and using the limiting equation via a nonlinear Schrödinger equation with an oscillatory potential, we rigorously establish two independent error bounds and obtain error bounds at $O(h^2+τ^{4/3})$ and $O(h^2+τ^{1+\fracα{2+α}})$ for well-prepared and ill-prepared initial data, respectively, which are uniform in both space and time for $0<\varepsilon\le 1$ and optimal at the second order in space. Numerical results are reported to demonstrate that our error bounds are sharp.
44.1NAApr 13
Error estimates of an exponential wave integrator for the nonlinear Schrödinger equation with singular potentialWeizhu Bao, Chushan Wang
We analyze a first-order exponential wave integrator (EWI) for the nonlinear Schrödinger equation (NLSE) with a singular potential that is locally in $L^2$, which might be locally unbounded. A typical example is the inverse power potential such as the Coulomb potential, which is the most fundamental potential in quantum physics and chemistry. We prove that, under the assumption of $L^2$-potential and $H^2$-initial data, the $L^2$-norm convergence of the EWI is, roughly, first-order in one dimension (1D) and two dimensions (2D), and $\frac{3}{4}$-order in three dimensions (3D). In addition, under a stronger integrability assumption of $L^p$-potential for some $p>2$ in 3D, the $L^2$-norm convergence increases to almost ${\frac{3}{4}} + 3(\frac{1}{2} - \frac{1}{p})$ order if $p \leq \frac{12}{5}$ and becomes first-order if $p > \frac{12}{5}$. In particular, our results show, to the best of our knowledge for the first time, that first-order $L^2$-norm convergence can be achieved when solving the NLSE with the Coulomb potential in 3D. The key advancements are the use of discrete (in time) Strichartz estimates, which allow us to handle the loss of integrability due to the singular potential that does not belong to $L^\infty$, and the more favorable local truncation error of the EWI, which requires no (spatial) smoothness of the potential. Extensive numerical results in 1D, 2D, and 3D are reported to confirm our error estimates and to show the sharpness of our assumptions on the regularity of the singular potentials.
95.2NAApr 16
A structure-preserving parametric approximation for anisotropic geometric flows via an $α$-surface energy matrixWeizhu Bao, Yifei Li, Wenjun Ying et al.
We propose a structure-preserving parametric approximation for geometric flows with general anisotropic effects. By introducing a hyperparameter $α$, we construct a unified surface energy matrix $\hat{\boldsymbol{G}}_k^α(θ)$ that encompasses all existing formulations of surface energy matrices, and apply it to anisotropic curvature flow. We prove that $α=-1$ is the unique choice achieving optimal energy stability under the necessary and sufficient condition $3\hatγ(θ)\geq\hatγ(θ-π)$, while all other $α\neq-1$ require strictly stronger conditions. The framework extends naturally to general anisotropic geometric flows through a unified velocity discretization that ensures energy stability. Numerical experiments validate the theoretical optimality of $α=-1$ and demonstrate the effectiveness and robustness.
70.7NAMay 5
Optimal error bounds on the exponential wave integrator for nonlinear Schrödinger equations with highly singular potentialWeizhu Bao, Chushan Wang, Yifei Wu
We establish error estimates of the first-order exponential wave integrator (EWI) for the nonlinear Schrödinger equation (NLSE) with a highly singular potential in $\R^d$ with $1 \leq d \leq 3$. Our results deal with singular potentials in $L^p_\text{\rm loc}(\R^d)$ with $p > \frac{d}{2}$ and $p \geq 1$, which is (almost) the weakest regularity of the potential required by the well-posedness of the NLSE. First, for $L^p_\text{loc}$-potentials with $p>2$, we establish an optimal first-order $L^2$-norm convergence for the EWI, with the convergence order slightly reduced to $1^-$ when $p=2$. To the best of our knowledge, the optimal first-order convergence for the three-dimensional $L^2$-potential is for the first time in the literature. The optimality of such an error bound is two-fold: (i) the first-order $L^2$-norm convergence is optimal for the EWI (and its higher-order versions) under the given $L^2$-regularity assumption on the potential, and (ii) to achieve the first-order $L^2$-norm convergence for the EWI, such an assumption is optimally weak. For more singular potentials in $L^p_\text{\rm loc}(\R^d)$ with $\frac{d}{2} < p < 2$ and $p \geq 1$, we prove that the $L^2$-norm convergence is (almost) of $(1 - α)$-order when $d=1, 2$, and of $(1 - \frac{3}{2}α)$-order when $d=3$, where $α:= d(1/p - 1/2)$ when $d =1,2,3$, $p>1$ and $α:= \frac{1}{2}^+$ when $d=1$, $p=1$. Notably, this result pushes the error estimate to the threshold regularity of the potential that matches the threshold regularity for the well-posedness of the NLSE, which is also for the first time. Two main ingredients are adopted in the proof: (i) the use of discrete space-time Lebesgue spaces together with discrete Strichartz estimates to establish the stability of the numerical scheme, and (ii) the use of normal form transformation and frequency decompositions to obtain optimal error bounds.
NAAug 7, 2016
A parametric finite element method for solid-state dewetting problems with anisotropic surface energiesWeizhu Bao, Wei Jiang, Yan Wang et al.
We propose an efficient and accurate parametric finite element method (PFEM) for solving sharp-interface continuum models for solid-state dewetting of thin films with anisotropic surface energies. The governing equations of the sharp-interface models belong to a new type of high-order (4th- or 6th-order) geometric evolution partial differential equations about open curve/surface interface tracking problems which include anisotropic surface diffusion flow and contact line migration. Compared to the traditional methods (e.g., marker-particle methods), the proposed PFEM not only has very good accuracy, but also poses very mild restrictions on the numerical stability, and thus it has significant advantages for solving this type of open curve evolution problems with applications in the simulation of solid-state dewetting. Extensive numerical results are reported to demonstrate the accuracy and high efficiency of the proposed PFEM.
NAMay 1, 2015
A uniformly accurate (UA) multiscale time integrator Fourier pseoduspectral method for the Klein-Gordon-Schrodinger equations in the nonrelativistic limit regimeWeizhu Bao, Xiaofei Zhao
A multiscale time integrator Fourier pseudospectral (MTI-FP) method is proposed and analyzed for solving the Klein-Gordon-Schrödinger (KGS) equations in the nonrelativistic limit regime with a dimensionless parameter $0<\varepsilon\le1$ which is inversely proportional to the speed of light. In fact, the solution to the KGS equations propagates waves with wavelength at $O(\varepsilon^2)$ and $O(1)$ in time and space, respectively, when $0<\varepsilon\ll 1$, which brings significantly numerical burdens in practical computation. The MTI-FP method is designed by adapting a multiscale decomposition by frequency to the solution at each time step and applying the Fourier pseudospectral discretization and exponential wave integrators for spatial and temporal derivatives, respectively. We rigorously establish two independent error bounds for the MTI-FP at $O(τ^2/\varepsilon^2+h^{m_0})$ and $O(\varepsilon^2+h^{m_0})$ for $\varepsilon\in(0,1]$ with $τ$ time step size, $h$ mesh size and $m_0\ge 4$ an integer depending on the regularity of the solution, which imply that the MTI-FP converges uniformly and optimally in space with exponential convergence rate if the solution is smooth, and uniformly in time with linear convergence rate at $O(τ)$ for $\varepsilon\in(0,1]$ and optimally with quadratic convergence rate at $O(τ^2)$ in the regime when either $\varepsilon=O(1)$ or $0<\varepsilon\le τ$. Thus the meshing strategy requirement (or $\varepsilon$-scalability) of the MTI-FP is $τ=O(1)$ and $h=O(1)$ for $0<\varepsilon\ll 1$, which is significantly better than classical methods. Numerical results demonstrate that our error bounds are optimal and sharp. Finally, the MTI-FP method is applied to study numerically convergence rates of the KGS equations to the limiting models in the nonrelativistic limit regime.
NAApr 11, 2015
A Regularized Newton Method for Computing Ground States of Bose-Einstein condensatesXinming Wu, Zaiwen Wen, Weizhu Bao
In this paper, we propose a regularized Newton method for computing ground states of Bose-Einstein condensates (BECs), which can be formulated as an energy minimization problem with a spherical constraint. The energy functional and constraint are discretized by either the finite difference, or sine or Fourier pseudospectral discretization schemes and thus the original infinite dimensional nonconvex minimization problem is approximated by a finite dimensional constrained nonconvex minimization problem. Then an initial solution is first constructed by using a feasible gradient type method, which is an explicit scheme and maintains the spherical constraint automatically. To accelerate the convergence of the gradient type method, we approximate the energy functional by its second-order Taylor expansion with a regularized term at each Newton iteration and adopt a cascadic multigrid technique for selecting initial data. It leads to a standard trust-region subproblem and we solve it again by the feasible gradient type method. The convergence of the regularized Newton method is established by adjusting the regularization parameter as the standard trust-region strategy. Extensive numerical experiments on challenging examples, including a BEC in three dimensions with an optical lattice potential and rotating BECs in two dimensions with rapid rotation and strongly repulsive interaction, show that our method is efficient, accurate and robust.
NAOct 14, 2014
Computing the ground state and dynamics of the nonlinear Schrödinger equation with nonlocal interactions via the nonuniform FFTWeizhu Bao, Shidong Jiang, Qinglin Tang et al.
We 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 \cite{JGB} 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.