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Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons

  • Bo Zhao
  • , Jing Yu Zhao
  • , Zheng Zhu
  • , Jian Wu
  • , Zheng Liu*
  • *此作品的通讯作者

科研成果: 期刊稿件文章同行评审

摘要

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.

源语言英语
文章编号136505
期刊Physical Review Letters
134
13
DOI
出版状态已出版 - 4 4月 2025

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