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

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 $f^n\to f^{n\pm 1}$ 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.

arXiv comment14 pages, 9 figures

References in corpus (17)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Continuous-time Monte Carlo methods for quantum impurity models
• A continuous-time solver for quantum impurity models
• Continuous Time Quantum Monte Carlo method for fermions
• Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
• Dynamical Mean-Field Theory within the Full-Potential Methods: Electronic structure of Ce-115 materials
• Dynamical mean-field theory using Wannier functions: a flexible route to electronic structure calculations of strongly correlated materials
• Sparse modeling approach to analytical continuation of imaginary-time quantum Monte Carlo data
• $i$QIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit
• Continuous-Time Quantum Monte Carlo Method for the Coqblin-Schrieffer Model
• Evolution of a Large Fermi Surface in the Kondo Lattice
• Dynamical Mean Field Theory, Density-Matrix Embedding Theory and Rotationally Invariant Slave Bosons: a Unified Perspective
• Tracing crystal-field splittings in the rare earth-based intermetallic CeIrIn${}_5$
• Application of the S=1 underscreened Anderson lattice model to Kondo uranium and neptunium compounds
• Exact Mapping of Periodic Anderson Model to Kondo Lattice Model
• First Principle Simulations of Heavy Fermion Cerium Compounds Based on the Kondo Lattice
• Hybridization expansion Monte Carlo simulation of multi-orbital quantum impurity problems: matrix product formalism and improved Monte Carlo sampling

Cited by in corpus (1)

• A Tensor Train Continuous Time Solver for Quantum Impurity Models