CT-X: an efficient continuous-time quantum Monte Carlo impurity solver in Kondo Regime

TL;DR

This paper introduces CT-X, an efficient continuous-time quantum Monte Carlo impurity solver that accurately captures low-energy physics in Kondo regimes and heavy-fermion systems without explicit Schrieffer-Wolff transformation.

Contribution

The paper presents a novel hybridization expansion impurity solver that approximates high-energy multiplet evolution, enabling efficient and accurate simulations at low temperatures for multi-orbital models.

Findings

Accurately reproduces results for Coqblin-Schriffeer and Kondo lattice models.

Captures low-energy physics of heavy-fermion materials directly.

Operates with high acceptance rate at low temperatures.

Abstract

In the present paper, we present an efficient continuous-time quantum Monte Carlo impurity solver with high acceptance rate at low temperature for multi-orbital quantum impurity models with general interaction. In this hybridization expansion impurity solver, the imaginary time evolution operator for the high energy multiplets, which decays very rapidly with the imaginary time, is approximated by a probability normalized $\delta$-function. As the result, the virtual charge fluctuations of $f^{n}\rightarrow f^{n\pm1}$ are well included on the same footing without applying Schrieffer-Wolff transformation explicitly. As benchmarks, our algorithm perfectly reproduces the results for both Coqblin-Schriffeer and Kondo lattice models obtained by CT-J method developed by Otsuki {\it et al}. Furthermore, it allows capturing low energy physics of heavy-fermion materials directly without fitting the exchange coupling $J$ in the Kondo model.