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We explore different ways of incorporating accurate trial wave functions into free projection auxiliary field quantum Monte Carlo (fp-AFQMC). Trial states employed include coupled cluster singles and doubles, multi-Slater, and symmetry…

Chemical Physics · Physics 2021-04-15 Ankit Mahajan , Sandeep Sharma

We offer a new proposal for the Monte Carlo treatment of many-fermion systems in continuous space. It is based upon Diffusion Monte Carlo with significant modifications: correlated pairs of random walkers that carry opposite signs;…

Condensed Matter · Physics 2009-10-31 M. H. Kalos , Francesco Pederiva

We present a finite-temperature canonical-ensemble determinant quantum Monte Carlo algorithm that enforces an exact fermion number and enables stable simulations of correlated lattice fermions. We propose a stabilized QR update that reduces…

Strongly Correlated Electrons · Physics 2026-01-21 Tu Hong , Kun Chen , Xiao Yan Xu

The quantum Monte Carlo algorithm is arguably one of the most powerful computational many-body methods, enabling accurate calculation of many properties in interacting quantum systems. In the presence of the so-called sign problem, the…

Strongly Correlated Electrons · Physics 2018-02-23 Chia-Chen Chang , Miguel A. Morales

The calculation of the ground state and thermodynamics of mass-imbalanced Fermi systems is a challenging many-body problem. Even in one spatial dimension, analytic solutions are limited to special configurations and numerical progress with…

Quantum Gases · Physics 2018-07-20 Lukas Rammelmüller , William J. Porter , Joaquín E. Drut , Jens Braun

We introduce a Monte Carlo scheme for sampling bold-line diagrammatic series specifying an unknown function in terms of itself. The range of convergence of this bold(-line) diagrammatic Monte Carlo (BMC) is significantly broader than that…

Statistical Mechanics · Physics 2009-11-13 Nikolay Prokof'ev , Boris Svistunov

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

It is well known that the use of the primitive second-order propagator in Path Integral Monte Carlo calculations of many-fermion systems leads to the sign problem. In this work, we show that by using the similarity-transformed Fokker-Planck…

Computational Physics · Physics 2020-04-22 Siu A. Chin

We present a new approach to some four-fermion lattice field theories which we call the generalized fermion bag approach. The basic idea is to identify unpaired fermionic degrees of freedom that cause sign problems and collect them in a…

High Energy Physics - Lattice · Physics 2011-12-01 Shailesh Chandrasekharan , Anyi Li

To tackle the sign problem in the simulations of systems having indefinite or complex-valued measures, we propose a new approach which yields statistical errors smaller than the crude Monte Carlo using absolute values of the original…

High Energy Physics - Lattice · Physics 2008-11-26 T D Kieu , C J Griffin

The entanglement entropy probing novel phases and phase transitions numerically via quantum Monte Carlo has made great achievements in large-scale interacting spin/boson systems. In contrast, the numerical exploration in interacting fermion…

Statistical Mechanics · Physics 2025-05-15 Weilun Jiang , Gaopei Pan , Zhe Wang , Bin-Bin Mao , Heng Shen , Zheng Yan

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

Frustrated spin systems generically suffer from the negative sign problem inherent to Monte Carlo methods. Since the severity of this problem is formulation dependent, optimization strategies can be put forward. We introduce a phase pinning…

Strongly Correlated Electrons · Physics 2021-08-18 Toshihiro Sato , Fakher F. Assaad

We develop a Monte Carlo scheme for sampling series of Feynman diagrams for the proper self-energy which are self-consistently expressed in terms of renormalized particle propagators. This approach is used to solve the problem of a single…

Strongly Correlated Electrons · Physics 2008-01-08 Nikolay Prokof'ev , Boris Svistunov

A general algorithm toward the solution of the fermion sign problem in finite-temperature quantum Monte Carlo simulations has been formulated for discretized fermion path integrals with nearest-neighbor interactions in the Trotter…

Statistical Mechanics · Physics 2009-10-31 C. H. Mak , R. Egger , H. Weber-Gottschick

Strongly correlated fermionic systems are of great interest in condensed matter physics and numerical methods are indispensable tools for their study. However, existing approaches such as exact diagonalization (ED) and stochastic quantum…

Strongly Correlated Electrons · Physics 2026-03-19 Finn L. Temmen , Martina Gisti , David J. Luitz , Thomas Luu , Johann Ostmeyer

We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a…

Condensed Matter · Physics 2009-10-28 Shiwei Zhang , J. Carlson , J. E. Gubernatis

In the fermion loop formulation the contributions to the partition function naturally separate into topological equivalence classes with a definite sign. This separation forms the basis for an efficient fermion simulation algorithm using a…

High Energy Physics - Lattice · Physics 2015-09-14 David Baumgartner , Urs Wenger

Heavy-Dense QCD (HDQCD) is a popular theory to investigate the sign problem in quantum field theory. Besides its physical applications, HDQCD is relatively easy to implement numerically: the fermionic degrees of freedom are integrated out,…

High Energy Physics - Lattice · Physics 2016-11-07 Nicolas Garron , Kurt Langfeld

Quantum simulators are engineered devices controllably designed to emulate complex and classically intractable quantum systems. A key challenge is to certify whether the simulator truly mimics the Hamiltonian of interest. This certification…

Quantum Physics · Physics 2020-06-12 Abolfazl Bayat , Benoit Voisin , Gilles Buchs , Joe Salfi , Sven Rogge , Sougato Bose