Fractionalized Kohn-Sham ansatz for strongly-correlated electrons

Kavli Affiliate: Zheng Zhu

| First 5 Authors: Bo Zhao, Jingyu Zhao, Zheng Zhu, Jian Wu, Zheng Liu

| Summary:

We propose to expand the territory of density functional theory to
strongly-correlated electrons by reformulating the Kohn-Sham ansatz in the
representation of fractionalized particles. We call it the ”KS* ansatz”.
Using inhomogeneous t-J chains as a test bed, we show that the KS* ansatz with
simple local density approximtion 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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