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SIAM Journal on Scientific Computing

A Spectrally Accurate Numerical Method for Computing the Bogoliubov--de Gennes Excitations of Dipolar Bose--Einstein Condensates

Qinglin Tang, Manting Xie, Yong Zhang, Yuqing Zhang

Published Jan 18, 2022• 4 citations
Publisher

Abstract

In this paper, we propose an efficient and robust numerical method to study the elementary excitation of dipolar Bose--Einstein condensates, which is governed by the Bogoliubov--de Gennes equations (BdGEs) with nonlocal dipole-dipole interaction, around the mean field ground state. Analytical properties of the BdGEs are investigated, which could serve as benchmarks for the numerical methods. To evaluate the nonlocal interactions accurately and efficiently, we propose a new simple Fourier spectral convolution (SFSC) method. Then, integrating SFSC with the standard Fourier spectral method for spatial discretization and implicitly restarted Arnoldi methods (IRAM) for the eigenvalue problem, we derive an efficient and spectrally accurate method, named the SFSC-IRAM, for the BdGEs. Ample numerical tests are provided to illustrate the accuracy and efficiency. Finally, we apply the new method to study systematically the excitation spectrum and Bogoliubov amplitudes around the ground state with different parameters in different spatial dimensions.

DOI
10.1137/21m1401048

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In this paper, we propose an efficient and robust numerical method to study the elementary excitation of dipolar Bose--Einstein condensates, which is governed by the Bogoliubov--de Gennes equations (BdGEs) with nonlocal dipole-dipole interaction, around the mean field ground state. Analytical properties of the BdGEs are investigated, which could serve as benchmarks for the numerical methods. To evaluate the nonlocal interactions accurately and efficiently, we propose a new simple Fourier spectral convolution (SFSC) method. Then, integrating SFSC with the standard Fourier spectral method for spatial discretization and implicitly restarted Arnoldi methods (IRAM) for the eigenvalue problem, we derive an efficient and spectrally accurate method, named the SFSC-IRAM, for the BdGEs. Ample numerical tests are provided to illustrate the accuracy and efficiency. Finally, we apply the new method to study systematically the excitation spectrum and Bogoliubov amplitudes around the ground state with different parameters in different spatial dimensions.
Abstract. In this paper, we propose a spectrally accurate solver for computing the Bogoliubov-de Gennes (BdG) excitations of spin-1 Bose-Einstein condensates (BECs), which are governed by the BdG equations, around the mean-field ground state. The BdG equations are essentially a constrained eigenvalue/eigenfunction system. First, we investigate their analytical properties, including exact eigenpairs, generalized nullspace, and bi-orthogonality of eigenspaces. Second, by combining the standard Fourier spectral method for spatial discretization and a stable Gram-Schmidt bi-orthogonal algorithm, we develop a subspace iterative solver for such a large-scale dense eigenvalue problem, and it proves to be numerically stable, efficient, and accurate. Our solver is matrix-free, and the operator-function evaluation is accelerated by a discrete fast Fourier transform (FFT) with almost optimal efficiency. Therefore, it is memory-friendly and efficient for large-scale problems. Furthermore, we give a rigorous and detailed numerical analysis of the stability and spectral convergence. Finally, we present extensive numerical results to illustrate the spectral accuracy and efficiency, and we investigate the excitation spectrum and Bogoliubov amplitudes around the ground state in 1–3 spatial dimensions.
In this paper, we propose an efficient Fourier spectral algorithm for an eigenvalue problem, that is, the Bogoliubov-de Gennes (BdG) equation arsing from spin-1 Bose-Einstein condensates (BEC) to describe the elementary/collective excitations around the mean-field ground state. The BdG equation is essentially a constrained eigenvalue/eigenfunction system. Firstly, we investigate its analytical properties, including exact eigenpairs, generalized nullspace, and bi-orthogonality of eigenspaces. Secondly, by combining the standard Fourier spectral method for spatial discretization and a stable Gram-Schmidt bi-orthogonal algorithm, we develop a subspace iterative solver for such a large-scale dense eigenvalue problem, and it proves to be numerically stable, efficient, and accurate. Our solver is matrix-free and the operator-function evaluation is accelerated by discrete Fast Fourier Transform (FFT) with almost optimal efficiency. Therefore, it is memory-friendly and efficient for large-scale problems. Furthermore, we give a rigorous and detailed numerical analysis on the stability and spectral convergence. Finally, we present extensive numerical results to illustrate the spectral accuracy and efficiency, and investigate the excitation spectrum and Bogoliubov amplitudes around the ground state in 1-3 spatial dimensions.
An efficient spectrally accurate multigrid method for the Bogoliubov-de Gennes excitations of the quasi-2D dipolar Bose-Einstein condensates is proposed. The wave functions/eigenmodes are spatially discretised by the Fourier spectral method. The convolution-type nonlocal potentials are computed in O(Nlog(N))\mathscr{O}(N log(N))O(Nlog(N)) operations with a spectral accuracy by the kernel truncation method. In addition, the influence of the model parameters on the eigenvalue distribution is studied and for various dipole orientations and an anisotropic external potential the phase diagrams of the eigenmodes are presented. Examples verify the spectral accuracy of the method.
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.
Dipolar Bose--Einstein condensates (BECs), i.e., BECs with long-range dipole-dipole interactions (DDI), exhibit extraordinarily rich physics and serve as a versatile experimental platform for exploring exotic quantum states of matter. Within the mean-field framework, a dipolar BEC can be described by the Gross--Pitaevskii (GP) model with a DDI term. Its stationary states consist of the ground state, which minimizes the GP energy functional under the normalization constraint, and excited states, which are higher-energy critical points that typically correspond to constrained saddle points. Excited states encode collective excitation modes and play a key role in the dynamical stability and quantum phase transitions of cold-atom systems. However, in contrast to the extensively studied ground state, they remain far less explored numerically, especially in dipolar systems. In this work, we develop a numerical method based on the constrained gentlest ascent dynamics (CGAD) that systematically computes excited states of dipolar BECs by stably targeting constrained saddle points with any prescribed Morse index. Specifically, a semi-implicit sine-pseudospectral discretization with an orthonormalization correction step is adopted, and the nonlocal DDI terms are evaluated efficiently and accurately via the nonuniform fast Fourier transform (NUFFT). The resulting scheme is applied to one-, two-, and three-dimensional dipolar BECs, enabling a detailed numerical investigation of their excited states. Remarkably, our simulations reveal that excited states can persist even in regimes where the ground state of the condensate becomes mean-field unstable. This work provides a computational framework for studying excited states in dipolar quantum gases and offers insights for future theoretical and experimental investigations.
The calculation of properties of Bose-Einstein condensates with dipolar interactions has proven a computationally intensive problem due to the long range nature of the interactions, limiting the scope of applications. In particular, the lowest lying Bogoliubov excitations in three-dimensional harmonic trap with cylindrical symmetry were so far computed in an indirect way, by Fourier analysis of time-dependent perturbations, or by approximate variational methods. We have developed a very fast and accurate numerical algorithm based on the Hankel transform for calculating properties of dipolar Bose-Einstein condensates in cylindrically symmetric traps. As an application, we are able to compute many excitation modes by directly solving the Bogoliubov-De Gennes equations. We explore the behavior of the excited modes in different trap geometries. We use these results to calculate the quantum depletion of the condensate by a combination of a computation of the exact modes and the use of a local density approximation.