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arXiv:1704.00131 · SciPost Physics

The ALF (Algorithms for Lattice Fermions) project release 1.0. Documentation for the auxiliary field quantum Monte Carlo code

Martin Bercx, Florian Goth, Johannes Stephan Hofmann, Fakher F. Assaad

Published Aug 16, 2017• 69 citations
arXivHTMLPDF

Abstract

The Algorithms for Lattice Fermions package provides a general code for the finite temperature auxiliary field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to an Ising field with given dynamics. We provide predefined types that allow the user to specify the model, the Bravais lattice as well as equal time and time displaced observables. The code supports an MPI implementation. Examples such as the Hubbard model on the honeycomb lattice and the Hubbard model on the square lattice coupled to a transverse Ising field are provided and discussed in the documentation. We furthermore discuss how to use the package to implement the Kondo lattice model and the SU(N) S U ( N ) -Hubbard-Heisenberg model. One can download the code from our Git instance at and sign in to file issues.

DOI
10.21468/scipostphys.3.2.013

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The Algorithms for Lattice Fermions package provides a general code for the finite temperature auxiliary field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to an Ising field with given dynamics. We provide predefined types that allow the user to specify the model, the Bravais lattice as well as equal time and time displaced observables. The code supports an MPI implementation. Examples such as the Hubbard model on the honeycomb lattice and the Hubbard model on the square lattice coupled to a transverse Ising field are provided and discussed in the documentation. We furthermore discuss how to use the package to implement the Kondo lattice model and the SU(N) S U ( N ) -Hubbard-Heisenberg model. One can download the code from our Git instance at and sign in to file issues.
The Algorithms for Lattice Fermions package provides a general code for the finite-temperature and projective auxiliary-field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to a bosonic field with given dynamics. The package includes five predefined model classes: SU(N) Kondo, SU(N) Hubbard, SU(N) t-V and SU(N) models with long range Coulomb repulsion on honeycomb, square and N-leg lattices, as well as Z_2 Z 2 unconstrained lattice gauge theories coupled to fermionic and Z_2 Z 2 matter. An implementation of the stochastic Maximum Entropy method is also provided. One can download the code from our Git instance at https://git.physik.uni-wuerzburg.de/ALF/ALF/-/tree/ALF-2.0 and sign in to file issues.
The Algorithms for Lattice Fermions package provides a general code for the finite-temperature and projective auxiliary-field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to a bosonic field with given dynamics. The package includes five pre-defined model classes: SU(N) Kondo, SU(N) Hubbard, SU(N) t-V and SU(N) models with long range Coulomb repulsion on honeycomb, square and N-leg lattices, as well as Z_2 Z 2 unconstrained lattice gauge theories coupled to fermionic and Z_2 Z 2 matter. An implementation of the stochastic Maximum Entropy method is also provided. One can download the code from our Git instance at https://git.physik.uni-wuerzburg.de/ALF/ALF/-/tree/ALF-2.4 and sign in to file issues.
The Algorithms for Lattice Fermions package provides a general code for the finite-temperature and projective auxiliary-field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to a bosonic field with given dynamics. The package includes five pre-defined model classes: SU(N) Kondo, SU(N) Hubbard, SU(N) t-V and SU(N) models with long range Coulomb repulsion on honeycomb, square and N-leg lattices, as well as Z_2 Z 2 unconstrained lattice gauge theories coupled to fermionic and Z_2 Z 2 matter. An implementation of the stochastic Maximum Entropy method is also provided. One can download the code from our Git instance at https://git.physik.uni-wuerzburg.de/ALF/ALF/-/tree/ALF-2.4 and sign in to file issues.
The Algorithms for Lattice Fermions package provides a general code for the finite-temperature and projective auxiliary-field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to a bosonic field with given dynamics. The package includes five predefined model classes: SU(N) Kondo, SU(N) Hubbard, SU(N) t-V and SU(N) models with long range Coulomb repulsion on honeycomb, square and N-leg lattices, as well as Z_2 Z2 unconstrained lattice gauge theories coupled to fermionic and Z_2 Z2 matter. An implementation of the stochastic Maximum Entropy method is also provided. One can download the code from our Git instance at https://git.physik.uni-wuerzburg.de/ALF/ALF/-/tree/ALF-2.0 and sign in to file issues.
We present a quantum Monte Carlo (QMC) technique for calculating the exact finite-temperature properties of Bose-Fermi mixtures. The Bose-Fermi auxiliary-field quantum Monte Carlo (BFAFQMC) algorithm combines two methods, a finite-temperature AFQMC algorithm for bosons and a variant of the standard AFQMC algorithm for fermions, into one algorithm for mixtures. We demonstrate the accuracy of our method by comparing its results for the Bose-Hubbard and Bose-Fermi-Hubbard models against those produced using exact diagonalization for small systems. Comparisons are also made with mean-field theory and the worm algorithm for larger systems. As is the case with most fermion Hamiltonians, a sign or phase problem is present in the BFAFQMC algorithm. We discuss the nature of these problems in this framework and describe how they can be controlled with well-studied approximations to expand the BFAFQMC algorithm's reach. This algorithm can serve as an essential tool for answering many unresolved questions about many-body physics in mixed Bose-Fermi systems.
We introduce a method that combines the power of both the lattice Green' function Monte Carlo (LGFMC) with the auxiliary field quantum Monte Carlo (AFQMC) techniques, and allows us to compute exact ground-state properties of the Hubbard model for $U\ensuremath{\lesssim}4t$ on finite clusters. Thanks to LGFMC, one obtains unbiased zero temperature results, not affected by the so-called Trotter approximation of the imaginary time propagator ${e}^{\ensuremath{-}H\ensuremath{\tau}}$. At the same time, the AFQMC formalism yields a remarkably fast convergence in $\ensuremath{\tau}$ before the fermion sign problem becomes prohibitive. As an application we report ground-state energies of the Hubbard model at U/t=4U/t=4U/t=4 with up to 100 sites.