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| Main Authors: | , , , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2412.01061 |
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| _version_ | 1866912312548392960 |
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| author | Zhao, Bo Zhao, Jingyu Zhu, Zheng Wu, Jian Liu, Zheng |
| author_facet | Zhao, Bo Zhao, Jingyu Zhu, Zheng Wu, Jian Liu, Zheng |
| contents | We propose to expand the territory of density functional theory to strongly correlated electrons by reformulating the Kohn-Sham scheme in the representation of fractionalized particles. We call it the ``KS* scheme.'' Using inhomogeneous $t$-$J$ chains as a test bed, we show that the KS* scheme with simple local density approximation is able to achieve accurate ground-state energy and density distribution comparable to the density matrix renormalization group method, while the computational complexity is much lower. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2412_01061 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons Zhao, Bo Zhao, Jingyu Zhu, Zheng Wu, Jian Liu, Zheng Computational Physics We propose to expand the territory of density functional theory to strongly correlated electrons by reformulating the Kohn-Sham scheme in the representation of fractionalized particles. We call it the ``KS* scheme.'' Using inhomogeneous $t$-$J$ chains as a test bed, we show that the KS* scheme with simple local density approximation is able to achieve accurate ground-state energy and density distribution comparable to the density matrix renormalization group method, while the computational complexity is much lower. |
| title | Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons |
| topic | Computational Physics |
| url | https://arxiv.org/abs/2412.01061 |