Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons
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.
Authors
- Bo Zhao (ORCID: https://orcid.org/0009-0007-4859-621X)
- Zheng Zhu (ORCID: https://orcid.org/0000-0001-7510-9949)
- Zheng Liu (ORCID: https://orcid.org/0000-0003-3038-8037)
- Zhao Jingyu
- Jian Wu (ORCID: https://orcid.org/0000-0001-7995-2140)
Institutions
- Kavli Institute for Theoretical Sciences (CN)
- University of Chinese Academy of Sciences (CN)
- State Key Laboratory of Low-Dimensional Quantum Physics
- Beihang University (CN)
- Tsinghua University (CN)
Publication Details
- Journal
- Physical Review Letters
- Published
- 2025-04-04
- DOI
- https://doi.org/10.1103/physrevlett.134.136505
- Primary Topic
- Organic and Molecular Conductors Research
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- National Key Research and Development Program of China
- Fundamental Research Funds for the Central Universities