Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons
arXiv:2412.01061 · doi:10.1103/PhysRevLett.134.136505
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.
7 pages, 4 figures. Updated to match published version in Phys. Rev. Lett. 134, 136505 (2025)
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