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Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons
Bo Zhao1, Jing-Yu Zhao2, Zheng Zhu3
1Tsinghua University, State Key Laboratory of Low Dimensional Quantum Physics, and Department of Physics, Beijing 100084, China.
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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