Back to Search Start Over

Machine learning orbital-free density functional theory: taming quantum shell effects in deformed nuclei

Authors :
Wu, X. H.
Ren, Z. X.
Zhao, P. W.
Publication Year :
2024

Abstract

Accurate description of deformed atomic nuclei by the orbital-free density functional theory has been a longstanding textbook challenge, due to the difficulty in accounting for the intricate quantum shell effects that are present in such systems. Orbital-free density functional theory is, in principle, capable of describing all effects of nuclear systems, as guaranteed by the Hohenberg-Kohn theorem. However, from a microscopic perspective, shell and deformation effects are believed to be intrinsically connected to single-orbital structures, posing a significant challenge for orbital-free approaches. Here, we develop a machine learning approach to the orbital-free density functional theory, which is capable of achieving a high level of accuracy in describing the ground-state properties and potential energy curves for both spherical $^{16}$O and deformed $^{20}$Ne nuclei. This is the inaugural instance where a fully orbital-free energy density functional has succeeded in taming the complex shell effects in deformed nuclei. It demonstrates that the orbital-free energy density functional, which is directly based on the Hohenberg-Kohn theorem, is not only a theoretical concept but also a practical one for nuclear systems.<br />Comment: 13 pages, 3 figures

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.2412.20739
Document Type :
Working Paper