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arXiv · 2412.01061

Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons

Bo Zhao·Jingyu Zhao·Zheng Zhu·Jian Wu·Zheng Liu
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Abstract

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.

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Bo Zhao, Jingyu Zhao, Zheng Zhu, Jian Wu, Zheng Liu. 2024-12-02. Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons. https://doi.org/10.1103/physrevlett.134.136505

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