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arXiv:2510.19392

Discrete normalized gradient flow for two-component Bose-Einstein condensates: Energy dissipation, global convergence and sharp local convergence behavior

Feng, Zixu, Liu, Lunxu, Qinglin Tang

Published Oct 22, 2025• 0 citations
arXivHTMLPDF

Abstract

The gradient flow with semi-implicit discretization (GFSI) is the most widely used algorithm for computing the ground state of Gross-Pitaevskii energy functional. We apply GFSI to the two-component scenario with Josephson junction and rotating term, which is one of the most important and topical models in multi-component Bose-Einstein condensates (MBECs), and rigorously establish the following fundamental results for the first time. By introducing a Lagrange multiplier to reformulate GFSI into an equivalent form, we prove its energy dissipation property and global convergence to stationary states. More significantly, we uncover an intrinsic connection between this classical numerical PDE discretization rooted in imaginary-time evolution and Riemannian optimization, a state-of-the-art mathematical framework for manifold-constrained optimization. This connection enables us to fully characterize the local convergence behavior of GFSI within the Riemannian optimization framework. Together with the aforementioned global convergence result, this yields a complete global--local convergence theory for GFSI. Finally, numerical experiments comprehensively validate the theoretically predicted energy dissipation and convergence properties.

DOI
10.48550/arxiv.2510.19392

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The gradient flow with semi-implicit discretization (GFSI) is the most widely used algorithm for computing the ground state of Gross-Pitaevskii energy functional. We apply GFSI to the two-component scenario with Josephson junction and rotating term, which is one of the most important and topical models in multi-component Bose-Einstein condensates (MBECs), and rigorously establish the following fundamental results for the first time. By introducing a Lagrange multiplier to reformulate GFSI into an equivalent form, we prove its energy dissipation property and global convergence to stationary states. More significantly, we uncover an intrinsic connection between this classical numerical PDE discretization rooted in imaginary-time evolution and Riemannian optimization, a state-of-the-art mathematical framework for manifold-constrained optimization. This connection enables us to fully characterize the local convergence behavior of GFSI within the Riemannian optimization framework. Together with the aforementioned global convergence result, this yields a complete global--local convergence theory for GFSI. Finally, numerical experiments comprehensively validate the theoretically predicted energy dissipation and convergence properties.
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We develop and analyze Riemannian optimization methods for computing ground states of rotating multicomponent Bose-Einstein condensates, defined as minimizers of the Gross-Pitaevskii energy functional. To resolve the non-uniqueness of ground states induced by phase invariance, we work on a quotient manifold endowed with a general Riemannian metric. By introducing an auxiliary phase-aligned iteration and employing fixed-point convergence theory, we establish a unified local convergence framework for Riemannian gradient descent methods and derive explicit convergence rates. Specializing this framework to two metrics tailored to the energy landscape, we study the energy-adaptive and Lagrangian-based Riemannian gradient descent methods. While monotone energy decay and global convergence are established only for the former, a quantified local convergence analysis is provided for both methods. Numerical experiments confirm the theoretical results and demonstrate that the Lagrangian-based method, which incorporates second-order information on the energy functional and mass constraints, achieves faster local convergence than the energy-adaptive scheme.
This paper presents a numerical method for computing the ground states of the three‑dimensional Gross-Pitaevskii equation (GPE) that includes the Lee-Huang-Yang (LHY) correction.The LHY term in the Gross-Pitaevskii energy functional is of the form |ψ|5 <?fx-imagestate width="4.40266657" height="3.89466691"?> <?fx-imagestate width="4.40266657" height="3.89466691"?> and accounts for quantum fluctuations in Bose-Einstein condensates (BECs).First, the continuous projected gradient flow is discretized with a Lagrange multiplier by using a Fourier pseudo-spectral method in space and a backward Euler scheme in time, obtaining a linearly implicit backward Euler scheme (PGF-BESP).The key idea is to implicitly determine the Lagrange multiplier through an orthogonal condition, thereby guaranteeing mass conservation (the normalization constraint) and providing an explicit expression for the Lagrange multiplier directly from the orthogonal condition.This preserves the two fundamental properties of the continuous normalized gradient flow with a Lagrange multiplier: Mass conservation and energy dissipation.Next, we carry out a rigorous theoretical analysis of the scheme and prove that the discrete energy is monotonically non-increasing under a suitable condition on the time step size.We then perform numerical experiments to verify the theoretical results, and the results show that mass is indeed conserved and the energy decays monotonically.Finally, we use the proposed method to compute ground state configurations for different potential terms and different interaction parameters.We find that as the interaction parameter increases, the overall size of the ground state density distribution also increases, and under the optical lattice potential, multi-layer structures are observed.In summary, both theoretical and numerical results show that the proposed PGF-BESP method provides a stable, efficient and easy to implement numerical tool for ground state computations of GPE with LHY correction.
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.
Abstract This paper addresses the computation of ground states of multicomponent Bose–Einstein condensates, defined as the global minimizer of an energy functional on an infinite-dimensional generalised oblique manifold. We establish the existence of the ground state, prove its uniqueness up to scaling and characterize it as the solution to a coupled nonlinear eigenvector problem. By equipping the manifold with several Riemannian metrics, we introduce a suite of Riemannian gradient descent and Riemannian Newton methods. Metrics that incorporate first- or second-order information about the energy are particularly advantageous, effectively preconditioning the resulting methods. For a Riemannian gradient descent method with an energy-adaptive metric, we provide a qualitative global and quantitative local convergence analysis, confirming its reliability and robustness with respect to the choice of the spatial discretization. Numerical experiments highlight the computational efficiency of both the Riemannian gradient descent and Newton methods.
We present an accelerated, stabilizer-based normalized gradient flow (ASNGF) framework with a nonlocal inertial (or momentum) mechanism for computing stationary states of Bose-Einstein condensates. Two schemes, ASNGF-I and ASNGF-II, are developed, and their discrete Lyapunov energy dissipation properties are established under the stated conditions. Linearized stability analyses and numerical parameter studies provide practical guidance for selecting the tunable parameters and demonstrate the important role of the nonlocal Laplacian term in the inertial dynamics. For suitable parameter scalings, the observed iteration counts are essentially insensitive to the time step over the tested range, including τ=10±60. Numerical experiments on several Gross-Pitaevskii models show that ASNGF can substantially reduce the iteration count compared with conventional normalized gradient-flow schemes for the tested problems and parameter settings. The results also reveal that its convergence behavior is problem- and parameter-dependent. The inertial mechanism can enhance exploration of non-convex energy landscapes but does not guarantee convergence to a global minimizer. These results demonstrate the potential of ASNGF as an efficient framework for stationary-state computations in BECs.