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The sign problem in Full Configuration Interaction Quantum Monte Carlo (FCIQMC) without annihilation can be understood as an instability of the psi-particle population to the ground state of the matrix obtained by making all off-diagonal…

Computational Physics · Physics 2013-01-14 Michael H. Kolodrubetz , James S. Spencer , Bryan K. Clark , W. Matthew C. Foulkes

The recently proposed full configuration interaction quantum Monte Carlo method allows access to essentially exact ground-state energies of systems of interacting fermions substantially larger than previously tractable without knowledge of…

Computational Physics · Physics 2012-12-17 J. S. Spencer , N. S. Blunt , W. M. C. Foulkes

There has been recent literature discussion on the origin and severity of the `sign problem' in full configuration interaction quantum Monte Carlo (FCIQMC) and its `initiator' adaptation (i-FCIQMC), methods of interest and potential because…

Sign problem in quantum Monte Carlo (QMC) simulation appears to be an extremely hard yet interesting problem. In this article, we present a pedagogical overview on the origin of the sign problem in various quantum Monte Carlo simulation…

Strongly Correlated Electrons · Physics 2023-10-27 Gaopei Pan , Zi Yang Meng

Quantum Monte Carlo simulations of fermions are hampered by the notorious sign problem whose most striking manifestation is an exponential growth of sampling errors with the number of particles. With the sign problem known to be an NP-hard…

Statistical Mechanics · Physics 2016-08-23 Peter Broecker , Simon Trebst

Quantum Monte Carlo methods are sophisticated numerical techniques for simulating interacting quantum systems. In some cases, however, they suffer from the notorious "sign problem" and become too inefficient to be useful. A recent…

Strongly Correlated Electrons · Physics 2008-05-16 K. S. D. Beach , Matthieu Mambrini , Fabien Alet

The sign problem is a major obstacle in quantum Monte Carlo simulations for many-body fermion systems. We examine this problem with a new perspective based on the Majorana reflection positivity and Majorana Kramers positivity. Two…

Strongly Correlated Electrons · Physics 2018-01-19 Z. C. Wei , Congjun Wu , Yi Li , Shiwei Zhang , T. Xiang

Quantum Monte-Carlo (QMC) simulations involving fermions have the notorious sign problem. Some well-known exceptions of the auxiliary field QMC algorithm rely on the factorizibility of the fermion determinant. Recently, a fermionic QMC…

Strongly Correlated Electrons · Physics 2009-02-06 Congjun Wu , Shou-Cheng Zhang

This work shows that the recently discovered operator contraction identity for solving the discreet Path Integral of the harmonic oscillator can be applied equally to fermions in any dimension. This then yields an exactly solvable model for…

Strongly Correlated Electrons · Physics 2026-04-21 Siu A. Chin

The sign problem is a key challenge in computational physics, encapsulating our inability to properly understand many important quantum many-body phenomena in physics, chemistry and the material sciences. Despite its centrality, the…

Quantum Physics · Physics 2019-10-31 Lalit Gupta , Itay Hen

The sign problem is the fundamental limitation to quantum Monte Carlo simulations of the statistical mechanics of interacting fermions. Determinant quantum Monte Carlo (DQMC) is one of the leading methods to study lattice models such as the…

Strongly Correlated Electrons · Physics 2015-07-14 V. I. Iglovikov , E. Khatami , R. T. Scalettar

We show that solutions to fermion sign problems in the CT-INT formulation can be extended to systems involving fermions interacting with dynamical quantum spins. While these sign problems seem unsolvable in the auxiliary field approach,…

Strongly Correlated Electrons · Physics 2016-11-04 Emilie Huffman , Shailesh Chandrasekharan

Quantum annealing is a generic solver of the optimization problem that uses fictitious quantum fluctuation. Its simulation in classical computing is often performed using the quantum Monte Carlo simulation via the Suzuki--Trotter…

Quantum Physics · Physics 2016-12-15 Masayuki Ohzeki

Due to the intrinsic complexity of the quantum many-body problem, quantum Monte Carlo algorithms and their corresponding Monte Carlo configurations can be defined in various ways. Configurations corresponding to few Feynman diagrams often…

Strongly Correlated Electrons · Physics 2019-04-30 Alexander Kowalski , Andreas Hausoel , Markus Wallerberger , Patrik Gunacker , Giorgio Sangiovanni

We investigate the sign problem for full configuration interaction quantum Monte Carlo (FCIQMC), a stochastic algorithm for finding the ground state solution of the Schr\"odinger equation with substantially reduced computational cost…

Computational Physics · Physics 2014-11-05 James J. Shepherd , Gustavo E. Scuseria , James S. Spencer

Quantum many-body systems whose Hamiltonians are non-stoquastic, i.e., have positive off-diagonal matrix elements in a given basis, are known to pose severe limitations on the efficiency of Quantum Monte Carlo algorithms designed to…

Quantum Physics · Physics 2019-06-18 Milad Marvian , Daniel A. Lidar , Itay Hen

We show here that a direct application of resummation-based quantum Monte Carlo (QMC) -- implemented recently for sign-problem-free SU(2)-symmetric Hamiltonians in the stochastic series expansion (SSE) framework -- does not reduce the sign…

Strongly Correlated Electrons · Physics 2023-08-15 Nisheeta Desai , Sumiran Pujari

We introduce a Quantum Monte Carlo (QMC) method which efficiently simulates in a sign-problem-free way a broad class of frustrated $S=1/2$ models with competing antiferromagnetic interactions. Our scheme uses the basis of total spin…

Strongly Correlated Electrons · Physics 2016-11-09 Fabien Alet , Kedar Damle , Sumiran Pujari

Monte Carlo simulations are a powerful tool for elucidating the properties of complex systems across many disciplines. Not requiring any a priori knowledge, they are particularly well suited for exploring new phenomena. However, when…

Strongly Correlated Electrons · Physics 2016-03-02 Mauro Iazzi , Alexey A. Soluyanov , Matthias Troyer

We extend the scope of full configuration interaction quantum Monte Carlo (FCIQMC) to be applied to coupled fermion-boson hamiltonians, alleviating the a priori truncation in boson occupation which is necessary for many other wave function…

Strongly Correlated Electrons · Physics 2022-11-09 Robert J. Anderson , Charles C. J. Scott , George H. Booth
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