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arXiv:cond-mat/0305309 · Multiscale Modeling and Simulation

Ground States and Dynamics of Multicomponent Bose--Einstein Condensates

Weizhu Bao

Published Jan 1, 2004• 160 citations
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Abstract

We study numerically the time-independent vector Gross--Pitaevskii equations (VGPEs) for ground states and time-dependent VGPEs with (or without) an external driven field for dynamics describing a multicomponent Bose--Einstein condensate (BEC) at zero or a very low temperature. In preparation for the numerics, we scale the three-dimensional (3d) VGPEs, approximately reduce it to lower dimensions, present a continuous normalized gradient flow (CNGF) to compute ground states of multicomponent BEC, prove energy diminishing of the CNGF, which provides a mathematical justification, and discretize it by the backward Euler finite difference (BEFD), which is monotone in linear and nonlinear cases and preserves energy diminishing property in the linear case. Then we use a time-splitting sine-spectral (TSSP) method to discretize the time-dependent VGPEs with an external driven field for computing dynamics of multicomponent BEC. The merits of the TSSP method for VGPEs are that it is explicit, unconditionally stable, time reversible and time transverse invariant if the VGPEs is, has "good" resolution in the semiclassical regime, is of spectral-order accuracy in space and second-order accuracy in time, and conserves the total particle number in the discretized level. Extensive numerical examples in three dimensions for ground states and dynamics of multicomponent BEC are presented to demonstrate the power of the numerical methods and to discuss the physics of multicomponent BEC.

DOI
10.1137/030600209

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静态相耦合的Gross-Pitaevskii方程组的解描述了双原子的玻色爱因斯坦凝聚体在极低温度下的基态现象。我们提出一种十分有效的数值方法——梯度法来求解此基态解。我们提出的梯度法在数值上既保持总模量守恒又能使总能量递减;我们严格地证明我们提出的梯度法是一种获得能量函数在给定限制性条件下的最小值(也即基态解)的十分有效的方法。我们通过大量的例子来显示该方法的优点并且应用该方法去研究处于旋转状态下的双原子–玻色爱因斯坦凝聚体在极低温度下所呈现的复杂涡旋现象。 The ground states of rotating two-component Bose-Einstein condensates (BEC) at extremely low temperature are solutions of time-independent coupled Gross-Pitaevskii equations. To compute the ground states, we propose an efficient numerical method—gradient flows with discrete nor-malization. In linear cases and under properly chosen initial data, we can prove that the gradient flows converge into the ground state which has the lowest energy. We show that the method is quite efficient and apply the method to study complicated vortex structure in the ground state solutions of rotating two-component BEC at extremely low temperature.

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We study numerically the time-independent vector Gross--Pitaevskii equations (VGPEs) for ground states and time-dependent VGPEs with (or without) an external driven field for dynamics describing a multicomponent Bose--Einstein condensate (BEC) at zero or a very low temperature. In preparation for the numerics, we scale the three-dimensional (3d) VGPEs, approximately reduce it to lower dimensions, present a continuous normalized gradient flow (CNGF) to compute ground states of multicomponent BEC, prove energy diminishing of the CNGF, which provides a mathematical justification, and discretize it by the backward Euler finite difference (BEFD), which is monotone in linear and nonlinear cases and preserves energy diminishing property in the linear case. Then we use a time-splitting sine-spectral (TSSP) method to discretize the time-dependent VGPEs with an external driven field for computing dynamics of multicomponent BEC. The merits of the TSSP method for VGPEs are that it is explicit, unconditionally stable, time reversible and time transverse invariant if the VGPEs is, has "good" resolution in the semiclassical regime, is of spectral-order accuracy in space and second-order accuracy in time, and conserves the total particle number in the discretized level. Extensive numerical examples in three dimensions for ground states and dynamics of multicomponent BEC are presented to demonstrate the power of the numerical methods and to discuss the physics of multicomponent BEC.
In this paper, we present a continuous normalized gradient flow (CNGF) and prove its energy diminishing property, which provides a mathematical justification of the imaginary time method used in the physics literature to compute the ground state solution of Bose--Einstein condensates (BEC). We also investigate the energy diminishing property for the discretization of the CNGF. Two numerical methods are proposed for such discretizations: one is the backward Euler centered finite difference (BEFD) method, the other is an explicit time-splitting sine-spectral (TSSP) method. Energy diminishing for BEFD and TSSP for the linear case and monotonicity for BEFD for both linear and nonlinear cases are proven. Comparison between the two methods and existing methods, e.g., Crank--Nicolson finite difference (CNFD) or forward Euler finite difference (FEFD), shows that BEFD and TSSP are much better in terms of preserving the energy diminishing property of the CNGF. Numerical results in one, two, and three dimensions with magnetic trap confinement potential, as well as a potential of a stirrer corresponding to a far-blue detuned Gaussian laser beam, are reported to demonstrate the effectiveness of BEFD and TSSP methods. Furthermore we observe that the CNGF and its BEFD discretization can also be applied directly to compute the first excited state solution in BEC when the initial data is chosen as an odd function.
In this paper, we mainly review recent results on mathematical theory andnumerical methods for Bose-Einstein condensation (BEC),based on the Gross-Pitaevskii equation (GPE). Starting from the simplest case with one-component BEC of the weakly interacting bosons, we study the reduction of GPE to lower dimensions, the ground states of BEC including the existence and uniqueness as well as nonexistence results, and the dynamics of GPE including dynamical laws, well-posedness of the Cauchy problem as well as the finite time blow-up. To compute the ground state, the gradient flow with discrete normalization (or imaginary time) method is reviewed and various full discretization methods are presented and compared. To simulate the dynamics, both finite difference methods and time splitting spectral methods are reviewed, and their error estimates are briefly outlined. When the GPE has symmetric properties, we show how to simplify the numerical methods. Then we compare two widely used scalings, i.e. physical scaling (commonly used) and semiclassical scaling, for BEC in strong repulsive interaction regime (Thomas-Fermi regime), and discuss semiclassical limits of the GPE. Extensions of these results for one-component BEC are thencarried out for rotating BEC by GPE with an angular momentum rotation, dipolar BEC by GPE with long range dipole-dipole interaction, and two-component BEC by coupled GPEs. Finally, as a perspective, we show briefly the mathematical models forspin-1 BEC, Bogoliubov excitation and BEC at finite temperature.
In this paper, we study dynamics of the ground state and central vortex states in Bose–Einstein condensation (BEC) analytically and numerically. We show how to define the energy of the Thomas–Fermi (TF) approximation, prove that the ground state is a global minimizer of the energy functional over the unit sphere and all excited states are saddle points in linear case, derive a second-order ordinary differential equation (ODE) which shows that time-evolution of the condensate width is a periodic function with/without a perturbation by using the variance identity, prove that the angular momentum expectation is conserved in two dimensions (2D) with a radial symmetric trap and 3D with a cylindrical symmetric trap for any initial data, and study numerically stability of central vortex states as well as interaction between a few central vortices with winding numbers ±1 by a fourth-order time-splitting sine-pseudospectral (TSSP) method. The merit of the numerical method is that it is explicit, unconditionally stable, time reversible and time transverse invariant. Moreover, it conserves the position density, performs spectral accuracy for spatial derivatives and fourth-order accuracy for time derivative, and possesses "optimal" spatial/temporal resolution in the semiclassical regime. Finally we find numerically the critical angular frequency for single vortex cycling from the ground state under a far-blue detuned Gaussian laser stirrer in strong repulsive interaction regime and compare our numerical results with those in the literatures.
In this paper, we propose an efficient and accurate numerical method for computing the dynamics of rotating two-component Bose--Einstein condensates (BECs) which is described by coupled Gross--Pitaevskii equations (CGPEs) with an angular momentum rotation term and an external driving field. By introducing rotating Lagrangian coordinates, we eliminate the angular momentum rotation term from the CGPEs, which allows us to develop an efficient numerical method. Our method has spectral accuracy in all spatial dimensions and moreover it can be easily implemented in practice. To examine its performance, we compare our method with those reported in literature. Numerical results show that to achieve the same accuracy, our method needs much shorter computing time. We also applied our method to study the dynamic properties of rotating two-component BECs. Furthermore, we generalize our method to solve the vector Gross--Pitaevskii equations (VGPEs) which is used to study rotating multi-component BECs.
We numerically study the nonlocal Gross–Pitaevskii equation (NGPE) which describes the dynamics of Bose–Einstein condensates (BEC) with dipole–dipole interaction at extremely low temperature. In preparation for the numerics, first we reformulate the dimensionless NGPE into a Schrödinger–Poisson system. Then, we discretize the three-dimensional Schrödinger–Poisson system in space by a sixth-order compact finite difference method and in time by a splitting technique. By means of three-dimensional discrete fast Sine transform, we develop a fast solver for the resulting discretized system. Finally, we present numerical examples in three dimensions to demonstrate the power of the numerical methods and to discuss some physics of dipolar BEC. The merits of the proposed method for the NGPE are that it is fast and unconditionally stable. Moreover, the method is of spectral-like accuracy in space, and conserves the particle number and the energy of the system in the discretized level.
静态相耦合的Gross-Pitaevskii方程组的解描述了双原子的玻色爱因斯坦凝聚体在极低温度下的基态现象。我们提出一种十分有效的数值方法——梯度法来求解此基态解。我们提出的梯度法在数值上既保持总模量守恒又能使总能量递减;我们严格地证明我们提出的梯度法是一种获得能量函数在给定限制性条件下的最小值(也即基态解)的十分有效的方法。我们通过大量的例子来显示该方法的优点并且应用该方法去研究处于旋转状态下的双原子–玻色爱因斯坦凝聚体在极低温度下所呈现的复杂涡旋现象。 The ground states of rotating two-component Bose-Einstein condensates (BEC) at extremely low temperature are solutions of time-independent coupled Gross-Pitaevskii equations. To compute the ground states, we propose an efficient numerical method—gradient flows with discrete nor-malization. In linear cases and under properly chosen initial data, we can prove that the gradient flows converge into the ground state which has the lowest energy. We show that the method is quite efficient and apply the method to study complicated vortex structure in the ground state solutions of rotating two-component BEC at extremely low temperature.