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Quantum Monte Carlo methods have recently been employed to study properties of nuclei and infinite matter using local chiral effective field theory interactions. In this work, we present a detailed description of the auxiliary field…

Nuclear Theory · Physics 2018-05-02 D. Lonardoni , S. Gandolfi , J. E. Lynn , C. Petrie , J. Carlson , K. E. Schmidt , A. Schwenk

The quantum Monte Carlo methods represent a powerful and broadly applicable computational tool for finding very accurate solutions of the stationary Schroedinger equation for atoms, molecules, solids and a variety of model systems. The…

Computational Physics · Physics 2011-01-28 Jindrich Kolorenc , Lubos Mitas

We present a new method for the optimization of large configuration interaction (CI) expansions in the quantum Monte Carlo (QMC) framework. The central idea here is to replace the non-orthogonal variational optimization of CI coefficients…

Chemical Physics · Physics 2022-05-26 Abdallah Ammar , Emmanuel Giner , Anthony Scemama

We present the results of Monte Carlo simulation for a Kondo lattice model in which itinerant electrons interact with Ising spins with spin-ice type easy-axis anisotropy on a pyrochlore lattice. We demonstrate the efficiency of the…

Strongly Correlated Electrons · Physics 2012-12-19 Hiroaki Ishizuka , Masafumi Udagawa , Yukitoshi Motome

We present optimized implementations of the weak-coupling continuous-time Monte Carlo method defined for nonequilibrium problems on the Keldysh contour. We describe and compare two methods of preparing the system before beginning the…

Strongly Correlated Electrons · Physics 2010-01-14 Philipp Werner , Takashi Oka , Martin Eckstein , Andrew J. Millis

The numerically exact path integral Monte Carlo approach for the real-time evolution of dissipative quantum systems (PIMC), particularly suited for systems with discrete configuration space (tight-binding systems), is extended to treat…

Statistical Mechanics · Physics 2009-11-11 Lothar Muehlbacher , Charlotte Escher , Joachim Ankerhold

A Cox-Thompson fixed-energy quantum inverse scattering method is developed further to treat long-range Coulomb interaction. Depending on the reference potentials chosen, two methods have been formulated which produce inverse potentials with…

Nuclear Theory · Physics 2011-11-28 Tamas Palmai , Barnabas Apagyi , Werner Scheid

The quantum-critical properties of the transverse-field Ising model with algebraically decaying interactions are investigated by means of stochastic series expansion quantum Monte Carlo, on both the one-dimensional linear chain and the…

Statistical Mechanics · Physics 2021-06-30 J. Koziol , A. Langheld , S. C. Kapfer , K. P. Schmidt

We present a novel Exchange Monte Carlo (EMC) method designed for application in continuous-space Path Integral Monte Carlo (PIMC) simulations at finite temperature. Traditional PIMC methods for bosonic systems suffer from long…

Statistical Mechanics · Physics 2026-05-26 Xun Zhao , Synge Todo

An efficient Monte Carlo algorithm for the simulation of spin models with long-range interactions is discussed. Its central feature is that the number of operations required to flip a spin is independent of the number of interactions…

Statistical Mechanics · Physics 2007-05-23 Erik Luijten

I present a cluster Monte Carlo algorithm that gives direct access to the interface free energy of Ising models. The basic idea is to simulate an ensemble that consists of both configurations with periodic and with antiperiodic boundary…

High Energy Physics - Lattice · Physics 2009-10-22 Martin Hasenbusch

Wave-function Monte Carlo methods are an important tool for simulating quantum systems, but the standard method cannot be used to simulate decoherence in continuously measured systems. Here we present a new Monte Carlo method for such…

Quantum Physics · Physics 2013-05-29 Kurt Jacobs

We present a generalization of the phaseless auxiliary-field quantum Monte Carlo (AFQMC) method to cavity quantum-electrodynamical (QED) matter systems. The method can be formulated in both the Coulomb and the dipole gauge. We verify its…

Chemical Physics · Physics 2025-03-04 Lukas Weber , Leonardo dos Anjos Cunha , Miguel A. Morales , Angel Rubio , Shiwei Zhang

A continuous-time path integral Quantum Monte Carlo method using the directed-loop algorithm is developed to simulate the Anderson single-impurity model in the occupation number basis. Although the method suffers from a sign problem at low…

Strongly Correlated Electrons · Physics 2009-11-10 Jaebeom Yoo , Shailesh Chandrasekharan , Harold U. Baranger

Gibbs measures, such as Coulomb gases, are popular in modelling systems of interacting particles. Recently, we proposed to use Gibbs measures as randomized numerical integration algorithms with respect to a target measure $\pi$ on $\mathbb…

Machine Learning · Computer Science 2025-08-05 Rémi Bardenet , Mylène Maïda , Martin Rouault

We study the pseudogap Bose-Fermi Anderson model with a continuous-time quantum Monte Carlo (CT-QMC) method. We discuss some delicate aspects of the transformation from this model to the Bose-Fermi Kondo model. We show that the CT-QMC…

Strongly Correlated Electrons · Physics 2015-05-20 J. H. Pixley , Stefan Kirchner , M. T. Glossop , Qimiao Si

A simple and efficient method for quantum Monte Carlo simulation is presented, based on discretization of the action in the path integral, and a Gaussian averaging of the potential, which works well e.g. with the Coulomb potential.

Computational Physics · Physics 2007-05-23 Jan Myrheim

Continuous-time quantum Monte Carlo refers to a class of algorithms designed to sample the thermal distribution of a quantum Hamiltonian through exact expansions of the Boltzmann exponential in terms of stochastic trajectories which are…

Statistical Mechanics · Physics 2024-07-17 Luke Causer , Konstantinos Sfairopoulos , Jamie F. Mair , Juan P. Garrahan

We apply the tensor cross interpolation (TCI) algorithm to solve equilibrium quantum impurity problems with high precision based on the weak-coupling expansion. The TCI algorithm, a kind of active learning method, factorizes…

Strongly Correlated Electrons · Physics 2025-05-02 Shuta Matsuura , Hiroshi Shinaoka , Philipp Werner , Naoto Tsuji

Extended solids are frequently simulated as finite systems with periodic boundary conditions, which due to the long-range nature of the Coulomb interaction may lead to slowly decaying finite- size errors. In the case of Quantum-Monte-Carlo…

Other Condensed Matter · Physics 2015-06-04 R. Gaudoin , I. G. Gurtubay , J. M. Pitarke