Efficient DMFT impurity solver using real-time dynamics with matrix product states

Article

关键词: QUANTUM MONTE-CARLO;    METAL-INSULATOR-TRANSITION;    MOTT-HUBBARD TRANSITION;    MEAN-FIELD THEORY;    RENORMALIZATION-GROUP;    INFINITE DIMENSIONS;    SYSTEMS;    MODEL;    FERMIONS;   

DOI  :  10.1103/PhysRevB.92.155132

来源: SCIE

【 摘 要 】

We propose to calculate spectral functions of quantum impurity models using the time evolving block decimation (TEBD) for matrix product states. The resolution of the spectral function is improved by a so-called linear prediction approach. We apply the method as an impurity solver within the dynamical mean-field theory (DMFT) for the single-and two-band Hubbard model on the Bethe lattice. For the single-band model, we observe sharp features at the inner edges of the Hubbard bands. A finite-size scaling shows that they remain present in the thermodynamic limit. We analyze the real time-dependence of the double occupation after adding a single electron and observe oscillations at the same energy as the sharp feature in the Hubbard band, indicating a long-lived coherent superposition of states that correspond to the Kondo peak and the side peaks. For a two-band Hubbard model, we observe an even richer structure in the Hubbard bands, which cannot be related to a multiplet structure of the impurity, in addition to sharp excitations at the band edges of a type similar to the single-band case.

【 授权许可】

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