Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons
Computational Physics
2025-04-08 v2
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 - 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.
Keywords
Cite
@article{arxiv.2412.01061,
title = {Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons},
author = {Bo Zhao and Jingyu Zhao and Zheng Zhu and Jian Wu and Zheng Liu},
journal= {arXiv preprint arXiv:2412.01061},
year = {2025}
}
Comments
7 pages, 4 figures. Updated to match published version in Phys. Rev. Lett. 134, 136505 (2025)