Abstract

New extensions of a common technique for approximating strongly correlated quantum systems provides unprecedented accuracy in describing aspects of electron behavior in a large lattice of interacting electrons.

Highlights

  • Dynamical properties often provide us with crucial insights into open issues of strongly correlated electron systems

  • We examined a newly proposed dynamical VMC (dVMC) method to calculate the single-particle spectral function and the Green’s function for strongly correlated electron systems

  • The proposed variational form of the excited states is simple and contains only one bare electron or hole added to the ground state—dressed by composite operators diagonal in the particle-number representation—the obtained spectral function rather accurately reproduces the exact structure in the benchmark

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Summary

INTRODUCTION

Dynamical properties often provide us with crucial insights into open issues of strongly correlated electron systems. Linear response quantities such as the spin and charge dynamical structure factors—Sðk; ωÞ and Nðk; ωÞ, respectively—defined below have been studied by limited methods such as the exact diagonalization (ED) [7,8] and time-dependent density matrix renormalization group [9,10]. We need to be cautious about these periodizations, and the results should be regarded as estimators because the momentum resolution is limited by the cluster size This case is true even for inhomogeneous extension of cDMFT [18,19], where the large supercluster still retains the self-energy modulation of the original smallest cluster [20]. We formulate a method of calculating the Green’s function Gðk; ωÞ and the spectral function Aðk; ωÞ 1⁄4 −ð1=πÞImGðk; ωÞ and show its accuracy by comparing with the exact results It reproduces the feature of the spincharge separation and excitation continuum in the onedimensional Hubbard model. The code is an extension based on the open-source code mVMC [35]

Green’s function
Nonorthogonal basis for excited states
VMC for the ground state
Dynamical VMC
Summary of the technique
RESULTS
One-dimensional lattice
Two-dimensional square lattice
Computational cost
SUMMARY AND OUTLOOK
Full Text
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