Competitive algorithms for calculating the ground state properties of Bose-Fermi mixtures

IF 3.4 2区物理与天体物理 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS

Computer Physics Communications Pub Date : 2025-10-10 DOI:10.1016/j.cpc.2025.109897

Tomasz Świsłocki , Krzysztof Gawryluk , Mirosław Brewczyk , Tomasz Karpiuk

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Abstract

In this work we define, analyze, and compare different numerical schemes that can be used to study the ground state properties of Bose-Fermi systems, such as mixtures of different atomic species under external forces or self-bound quantum droplets. The bosonic atoms are assumed to be condensed and are described by the generalized Gross-Pitaevskii equation. The fermionic atoms, on the other hand, are treated individually, and each atom is associated with a wave function whose evolution follows the Hartree-Fock equation. We solve such a formulated set of equations using a variety of methods, including those based on adiabatic switching of interactions and the imaginary time propagation technique combined with the Gram-Schmidt orthonormalization or the diagonalization of the Hamiltonian matrix. We show how different algorithms compete at the numerical level by studying the mixture in the range of parameters covering the formation of self-bound quantum Bose-Fermi droplets.

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计算玻色-费米混合物基态性质的竞争算法

在这项工作中，我们定义、分析和比较了不同的数值方案，这些方案可用于研究玻色-费米系统的基态特性，例如不同原子种类在外力作用下的混合物或自束缚量子液滴。假设玻色子原子是凝聚的，用广义Gross-Pitaevskii方程来描述。另一方面，费米子原子被单独处理，每个原子都与波函数相关联，波函数的演化遵循Hartree-Fock方程。我们使用各种方法来求解这样的公式集，包括基于相互作用的绝热交换和结合Gram-Schmidt标准正交化或哈密顿矩阵对角化的虚时间传播技术。我们通过研究涵盖自束缚量子玻色-费米液滴形成的参数范围内的混合物，展示了不同算法在数值水平上的竞争。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Computer Physics Communications 物理-计算机：跨学科应用

CiteScore

12.10

自引率

3.20%

发文量

287

审稿时长

5.3 months

期刊介绍： The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper. Computer Programs in Physics (CPiP) These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged. Computational Physics Papers (CP) These are research papers in, but are not limited to, the following themes across computational physics and related disciplines. mathematical and numerical methods and algorithms; computational models including those associated with the design, control and analysis of experiments; and algebraic computation. Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.