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While first order perturbation theory is routinely used in quantum Monte Carlo (QMC) calculations, higher-order terms present significant numerical challenges. We present a new approach for computing perturbative corrections in projection…

Nuclear Theory · Physics 2022-06-16 Bing-Nan Lu , Ning Li , Serdar Elhatisari , Yuan-Zhuo Ma , Dean Lee , Ulf-G. Meißner

Monte Carlo calculations in the framework of lattice field theory provide non-perturbative access to the equilibrium physics of quantum fields. When applied to certain fermionic systems, or to the calculation of out-of-equilibrium physics,…

High Energy Physics - Lattice · Physics 2020-06-23 Scott Lawrence

The Monte Carlo calculation of R\'enyi entanglement entropies $S^{}_n$ of interacting fermions suffers from a well-known signal-to-noise problem, even for a large number of situations in which the infamous sign problem is absent. A few…

Strongly Correlated Electrons · Physics 2015-10-28 Joaquín E. Drut , William J. Porter

Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, is a useful algorithm that allows…

Strongly Correlated Electrons · Physics 2016-08-23 Norm M. Tubman , Joonho Lee , Tyler Y. Takeshita , Martin Head-Gordon , K. Birgitta Whaley

We propose a novel quantum Monte Carlo method in configuration space, which stochastically samples the contribution from a large secondary space to the effective Hamiltonian in the energy dependent partitioning of L\"owdin. The method…

Chemical Physics · Physics 2015-06-15 Seiichiro Ten-no

The Monte Carlo evaluation of path integrals is one of a few general purpose methods to approach strongly coupled systems. It is used in all branches of Physics, from QCD/nuclear physics to the correlated electron systems. However, many…

High Energy Physics - Lattice · Physics 2020-07-13 Andrei Alexandru , Gokce Basar , Paulo F. Bedaque , Neill C. Warrington

The sign problem is one of the central obstacles to efficiently simulating quantum many-body systems. It is commonly believed that some phases of matter, such as the double semion model, have an intrinsic sign problem and can never be…

Strongly Correlated Electrons · Physics 2026-05-11 Leyna Shackleton

The notorious sign problem severely limits the applicability of quantum Monte Carlo (QMC) simulations, as statistical errors grow exponentially with system size and inverse temperature. A recent proposal of a quantum-computing stochastic…

Quantum Physics · Physics 2026-03-11 Kwai-Kong Ng , Min-Fong Yang

The sign problem is a notorious problem, which occurs in Monte Carlo simulations of a system with the partition function whose integrand is not real positive. The basic idea of the factorization method applied on such a system is to control…

Statistical Mechanics · Physics 2011-04-14 Konstantinos N. Anagnostopoulos , Takehiro Azuma , Jun Nishimura

Over the past few years pair coupled cluster doubles (pCCD) has shown promise for the description of strong correlation. This promise is related to its apparent ability to match results from doubly occupied configuration interaction (DOCI),…

Chemical Physics · Physics 2016-03-23 James J. Shepherd , Thomas M. Henderson , Gustavo E. Scuseria

A new method for the stabilization of the sign problem in the Green Function Monte Carlo technique is proposed. The method is devised for real lattice Hamiltonians and is based on an iterative ''stochastic reconfiguration'' scheme which…

Condensed Matter · Physics 2009-10-31 S. Sorella

The quantum Monte-Carlo method is applied to two-dimensional electron systems under strong magnetic fields. The negative-sign problem involved by this method can be avoided for certain filling factors by modifying interaction parameters…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Sei Suzuki , Tatsuya Nakajima

We present a universal quantum Monte Carlo algorithm for simulating arbitrary high-spin (spin greater than 1/2) Hamiltonians, based on the recently developed permutation matrix representation (PMR) framework. Our approach extends a…

Computational Physics · Physics 2026-01-27 Arman Babakhani , Lev Barash , Itay Hen

Quantum simulations are a powerful tool for exploring strongly correlated many-body phenomena. Yet, their reach is limited by the fermion sign problem, which causes configuration weights to become negative, compromising statistical…

Strongly Correlated Electrons · Physics 2025-12-04 Ryan Larson , Rubem Mondaini , Richard T. Scalettar

When one tries to simulate quantum spin systems by the Monte Carlo method, often the 'minus-sign problem' is encountered. In such a case, an application of probabilistic methods is not possible. In this paper the method has been proposed…

Statistical Mechanics · Physics 2009-11-11 Jacek Wojtkiewicz

We propose a framework based on the concept of the semigroup to understand the fermion sign problem. By using properties of contraction semigroups, we obtain sufficient conditions for quantum lattice fermion models to be sign-problem-free.…

Strongly Correlated Electrons · Physics 2024-08-28 Zhong-Chao Wei

It is shown that a class of separately frustration-free (SFF) Hamiltonians can be Monte Carlo simulated efficiently on a classical computing machine, because such an SFF Hamiltonian corresponds to a Gibbs wavefunction whose nodal structure…

General Physics · Physics 2021-12-30 David H. Wei

Quantum Monte Carlo simulations, while being efficient for bosons, suffer from the "negative sign problem'' when applied to fermions - causing an exponential increase of the computing time with the number of particles. A polynomial time…

Statistical Mechanics · Physics 2007-05-23 Matthias Troyer , Uwe-Jens Wiese

We present a numerically exact Inchworm Monte Carlo method for equilibrium multiorbital quantum impurity problems with general interactions and hybridizations. We show that the method, originally developed to overcome the dynamical sign…

Strongly Correlated Electrons · Physics 2020-05-25 Eitan Eidelstein , Emanuel Gull , Guy Cohen

We discuss the sign problem arising in Monte Carlo simulations of frustrated quantum spin systems. We show that for a class of ``semi-frustrated'' systems (Heisenberg models with ferromagnetic couplings $J_z(r) < 0$ along the $z$-axis and…

Strongly Correlated Electrons · Physics 2009-10-31 Patrik Henelius , Anders W. Sandvik