Charge dynamics of correlated electrons: Variational description with inclusion of composite fermions

• Published in: Physical review. B 2020-02, Vol.101 (7), Article 075124
• Main Authors: Ido, Kota, Imada, Masatoshi, Misawa, Takahiro
• Format: Article
• Language: English
• Subjects: Charge materials; Computer simulation; Copper oxides; Excitation; Fermions; Hilbert space; Mathematical analysis; Monte Carlo simulation; Two dimensional models
• ISSN: 2469-9950; 2469-9969
• DOI: 10.1103/PhysRevB.101.075124

We propose a method to calculate the charge dynamical structure factors for the ground states of correlated electron systems based on the variational Monte Carlo method. Our benchmarks for the one- and two-dimensional Hubbard models show that inclusion of composite-fermion excitations in the basis set greatly improves the accuracy, in reference to the exact charge dynamical structure factors for clusters. Together with examination for larger systems beyond tractable sizes by the exact diagonalization, our results indicate that the variational Monte Carlo method is a promising way for studies on the nature of charge dynamics in correlated materials such as the copper oxide superconductors if the composite-fermion excitations are properly included in the restricted Hilbert space of intermediate states in the linear response theory. Our results are consistent with the particle-hole excitations inferred from the single-particle spectral function A(k,ω) in the literature. We also discuss the importance of incorporating nonlocal composite fermion for a more accurate description. Future issues for further improvements are also discussed.