基于托马斯-费米方法的机器学习无核轨道密度函数

IF 1 4区 物理与天体物理 Q4 PHYSICS, NUCLEAR
Y. Y. Chen, X. H. Wu
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引用次数: 0

摘要

由于避免了辅助单体轨道,无轨道密度泛函理论(DFT)比依赖轨道的 Kohn-Sham DFT 更有效。最近,机器学习方法被应用于建立核无轨道 DFT [Wu 等,Phys. Rev. C105 (2022) L031303],并取得了比现有无轨道 DFT 更精确的核描述。在这里,通过将托马斯-费米方法作为基底,建立了改进的机器学习核无轨道密度函数。该函数的性能与基于纯机器学习方法的函数进行了详细比较。结果发现,加入托马斯-费米函数后,基于机器学习的函数在直接预测动能和通过自洽程序提供基态性质方面能取得更好的性能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Machine learning nuclear orbital-free density functional based on Thomas–Fermi approach

Orbital-free density functional theory (DFT) is much more efficient than the orbital-dependent Kohn–Sham DFT due to the avoidance of the auxiliary one-body orbitals. The machine learning approach has been applied to build nuclear orbital-free DFT recently [Wu et al., Phys. Rev. C105 (2022) L031303] and achieved more precise descriptions for nuclei than existing orbital-free DFTs. Here, improved machine learning nuclear orbital-free density functional is built by including the Thomas–Fermi approach as a basement. Performances of the functional are compared in detail with the ones based on the pure machine learning approach. It is found that with the Thomas–Fermi functional included, the machine-learning-based functional can achieve better performance in directly predicting the kinetic energies and in providing the ground-state properties by the self-consistent procedures.

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来源期刊
International Journal of Modern Physics E
International Journal of Modern Physics E 物理-物理:核物理
CiteScore
1.90
自引率
18.20%
发文量
98
审稿时长
4-8 weeks
期刊介绍: This journal covers the topics on experimental and theoretical nuclear physics, and its applications and interface with astrophysics and particle physics. The journal publishes research articles as well as review articles on topics of current interest.
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