{"title":"基于托马斯-费米方法的机器学习无核轨道密度函数","authors":"Y. Y. Chen, X. H. Wu","doi":"10.1142/s0218301324500125","DOIUrl":null,"url":null,"abstract":"<p>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 <i>et al.</i>, <i>Phys. Rev. C</i><b>105</b> (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.</p>","PeriodicalId":50306,"journal":{"name":"International Journal of Modern Physics E","volume":null,"pages":null},"PeriodicalIF":1.0000,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Machine learning nuclear orbital-free density functional based on Thomas–Fermi approach\",\"authors\":\"Y. Y. Chen, X. H. Wu\",\"doi\":\"10.1142/s0218301324500125\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>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 <i>et al.</i>, <i>Phys. Rev. C</i><b>105</b> (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.</p>\",\"PeriodicalId\":50306,\"journal\":{\"name\":\"International Journal of Modern Physics E\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.0000,\"publicationDate\":\"2024-03-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Modern Physics E\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1142/s0218301324500125\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Modern Physics E","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1142/s0218301324500125","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, NUCLEAR","Score":null,"Total":0}
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.
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.