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Communications in Computational Physics

A Preconditioned Conjugated Gradient Method for Computing Ground States of Rotating Dipolar Bose-Einstein Condensates via Kernel Truncation Method for Dipole-Dipole Interaction Evaluation

Xavier Antoine, Qinglin Tang, Yong Zhang

Published Jun 1, 2018• 38 citations
Publisher

Abstract

In this paper, we propose an efficient and accurate method to compute the ground state of 2D/3D rotating dipolar BEC by incorporating the Kernel Truncation Method (KTM) for Dipole-Dipole Interaction (DDI) evaluation into the newly-developed Preconditioned Conjugate Gradient (PCG) method [9]. Adaptation details of KTM and PCG, including multidimensional discrete convolution acceleration for KTM, choice of the preconditioners in PCG, are provided. The performance of our method is confirmed with extensive numerical tests, with emphasis on spectral accuracy of KTM and efficiency of ground state computation with PCG. Application of our method shows some interesting vortex lattice patterns in 2D and 3D respectively.

DOI
10.4208/cicp.2018.hh80.11

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In this paper, we propose an efficient and accurate method to compute the ground state of 2D/3D rotating dipolar BEC by incorporating the Kernel Truncation Method (KTM) for Dipole-Dipole Interaction (DDI) evaluation into the newly-developed Preconditioned Conjugate Gradient (PCG) method [9]. Adaptation details of KTM and PCG, including multidimensional discrete convolution acceleration for KTM, choice of the preconditioners in PCG, are provided. The performance of our method is confirmed with extensive numerical tests, with emphasis on spectral accuracy of KTM and efficiency of ground state computation with PCG. Application of our method shows some interesting vortex lattice patterns in 2D and 3D respectively.
In this article, we propose an efficient and spectrally accurate numerical method to compute the ground states of three-dimensional (3D) rotating dipolar Bose-Einstein condensates (BEC) under strongly anisotropic trapping potentials.The kernel singularity, convolution non-locality and density anisotropy together complicate the dipolar potential evaluation. The fast rotation mechanism not only induces a complicated energy landscape with many local minima, but also creates a large number of vortices in the condensates. Such factors collectively make the ground state computation challenging in terms of convergence, accuracy and efficiency, especially for 3D anisotropic systems. Coupled with Fourier spectral discretization, we proposed a preconditioned conjugate gradient method (PCG) by integrating the anisotropic truncated kernel method (ATKM) for the dipolar potential evaluation. An adaptive step size control strategy is designed and ATKM allows for a spectral accuracy without introducing any extra anisotropy-dependent memory requirement or computational time. Our algorithm is spectrally accurate, highly efficient and memory-economic. Extensive numerical results are presented to confirm the accuracy and efficiency, together with applications to study impacts of the model parameters on critical rotational frequency, energies and chemical potential. Furthermore, these simulations reveal additional novel ground state patterns, such as bent vortices.
Abstract. In this paper, we propose a preconditioned Riemannian conjugate gradient method for computing ground states of spin-1 Bose-Einstein condensates, which can be reformulated as an optimization problem with the mass and magnetization constraints. The energy functional and constraints can be discretized using Fourier pseudospectral schemes, thereby transforming the problem into an optimization task on a manifold. We derive vector transports by differentiating three existing retractions and propose an initial step size selection strategy based on the second-order approximation of the energy function for the proposed Riemannian optimization algorithm. In addition, a preconditioner is derived and used. To further accelerate the convergence, we combine the proposed algorithm with a multigrid method. Numerical experiments demonstrate the efficiency and accuracy of the proposed method while confirming the usefulness of our preconditioning technique and the effectiveness of the proposed strategy for initial step size selection.
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 the 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.
In this article, we study mathematically and numerically the ground states of three-component rotating spin-orbit coupled (SOC) spin-1 Bose-Einstein condensates modeled by the coupled Gross-Pitaevskii equations (CGPEs). Firstly, we rigorously prove existence result of the ground state and derive some analytical properties, including the virial identity and negativity of SOC energy. Secondly, we propose an efficient and accurate preconditioned nonlinear conjugate gradient (PCG) algorithm to compute the ground states. We truncate the whole space into a bounded rectangular domain and readily apply the Fourier spectral method to approximate the wave function. The PCG method is successfully adapted with appropriate modifications to the adaptive step size control strategy for the one-parameter energy minimization problem and to the choice of preconditioners, achieving great performance in terms of accuracy and efficiency. Lastly, we carry out extensive numerical experiments to verify the existence and property results of the ground states, confirm the spatial spectral accuracy by traversing the most commonly-used initial guesses for each component thanks to its great efficiency, which is also attributed to a utilization of cascadic multigrid and discrete Fast Fourier Transform (FFT). Moreover, we investigate the effects of local interaction, rotation and spin-orbit coupling and external trapping potential on the ground state, and unveil some interesting physical phenomena, such as giant vortex and U-shape vortex line.
We study efficient continuation methods for computing the ground state solution of quasi-2D rotating dipolar Bose-Einstein condensates (BECs). First, the highly accurate spectral collocation method is used to discretize the governing Gross-Pitaevskii equation (GPE). Then, we modify the two-level continuation scheme for 3D dipolar BECs described in Jeng et al. (2014) to develop a single-parameter continuation method for quasi-2D rotating dipolar BECs, where the chemical potential is treated as the continuation parameter. Further, by adding the ratio of dipolar interaction strength to contact interaction strength as the second continuation parameter, we propose an efficient two-parameter continuation method which can effectively show the change of the ground-state vortex structures as the dipolar interaction strength gradually increases. Moreover, we also study linear stability analysis for the GPE. Sample numerical results on quasi-2D rotating dipolar BECs are reported.
In this paper, we study mathematically and numerically the ground states of rotating spin-orbit coupled two-component Bose-Einstein condensates modeled by the coupled Gross-Pitaevskii equations. Firstly, we rigorously prove the existence and nonexistence results for the ground states and derive some analytical properties, including the virial identity and negativity of SOC energy. Secondly, we propose an efficient and accurate preconditioned nonlinear conjugate gradient (PCG) algorithm to compute the ground states. We truncate the whole space into a bounded rectangular domain and readily apply the Fourier spectral method to approximate the wave function. The PCG method is successfully adapted with appropriate modifications to the adaptive step size control strategy for the one-parameter energy minimization problem and to the choice of preconditioners, achieving great performance in terms of accuracy and efficiency. Lastly, we carry out extensive numerical experiments to confirm the spatial spectral accuracy by traversing the most commonly-used initial guesses for each component. Moreover, we investigate the effects of local interaction, angular velocity, spin-orbit coupling and external trapping potential on the ground states, and predict some interesting physical phenomena, such as vortex lattices.