Non-local orbital-free density functional theory incorporating nuclear shell effects
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arXiv
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| Main Authors: | , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866908859734425600 |
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| author | Wu, Xinhui Colò, Gianluca Hagino, Kouichi Zhao, Pengwei |
| author_facet | Wu, Xinhui Colò, Gianluca Hagino, Kouichi Zhao, Pengwei |
| contents | Incorporating nuclear shell effects within the framework of orbital-free density functional theory (DFT) has remained a longstanding challenge in nuclear physics. While the Hohenberg-Kohn theorem formally guarantees the existence of an orbital-free density functional that is capable of describing all many-body effects, including shell effects, practical attempts since the 1970s have consistently failed to capture such effects. This persistent difficulty has even led to the misconception that the orbital-free DFT is inherently unable to describe nuclear shell effects. Here we develop a {\it non-local} orbital-free DFT approach for atomic nuclei and demonstrate that nuclear shell effects can be successfully incorporated into the orbital-free DFT through the construction of a non-local kinetic energy density functional. In particular, we show that the non-local orbital-free functional yields a nucleon localization function that, as an established indicator of shell effects, exhibits consistent behavior with the exact Kohn-Sham solution. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2510_22546 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Non-local orbital-free density functional theory incorporating nuclear shell effects Wu, Xinhui Colò, Gianluca Hagino, Kouichi Zhao, Pengwei Nuclear Theory Nuclear Experiment Incorporating nuclear shell effects within the framework of orbital-free density functional theory (DFT) has remained a longstanding challenge in nuclear physics. While the Hohenberg-Kohn theorem formally guarantees the existence of an orbital-free density functional that is capable of describing all many-body effects, including shell effects, practical attempts since the 1970s have consistently failed to capture such effects. This persistent difficulty has even led to the misconception that the orbital-free DFT is inherently unable to describe nuclear shell effects. Here we develop a {\it non-local} orbital-free DFT approach for atomic nuclei and demonstrate that nuclear shell effects can be successfully incorporated into the orbital-free DFT through the construction of a non-local kinetic energy density functional. In particular, we show that the non-local orbital-free functional yields a nucleon localization function that, as an established indicator of shell effects, exhibits consistent behavior with the exact Kohn-Sham solution. |
| title | Non-local orbital-free density functional theory incorporating nuclear shell effects |
| topic | Nuclear Theory Nuclear Experiment |
| url | https://arxiv.org/abs/2510.22546 |