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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

The shell model Monte Carlo (SMMC) method is a powerful method for calculating exactly (up to statistical errors) thermal observables and statistical properties of atomic nuclei. However, its application has been limited by a sign problem…

Nuclear Theory · Physics 2025-01-08 Y. Alhassid , P. Fanto , C. Özen

We present an extension of constrained-path auxiliary-field quantum Monte Carlo (CP-AFQMC) for the treatment of correlated electronic systems coupled to phonons. The algorithm follows the standard CP-AFQMC approach for description of the…

Strongly Correlated Electrons · Physics 2021-03-24 Joonho Lee , Shiwei Zhang , David R. Reichman

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

Phaseless Auxiliary-Field Quantum Monte Carlo (ph-AFQMC) has recently emerged as a promising method for the production of benchmark-level simulations of medium to large-sized molecules, due to its accuracy and favorable polynomial scaling…

Phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) has emerged as a promising electronic structure method for correlated electronic systems. However, the quality of its predictions depends critically on the choice of trial…

Chemical Physics · Physics 2026-05-06 Don Danilov , Brad Ganoe , Leon Otis , Zhi Gong , Zixiang Lu , James Shee

Sign problem in fermion quantum Monte Carlo (QMC) simulation appears to be an extremely hard problem. Traditional lore passing around for years tells people that when there is a sign problem, the average sign in QMC simulation approaches…

Strongly Correlated Electrons · Physics 2022-07-20 Xu Zhang , Gaopei Pan , Xiao Yan Xu , Zi Yang Meng

The fermion sign problem poses a formidable challenge to the use of Monte Carlo methods for lattice gauge theories with dynamical fermionic matter fields. A meron cluster algorithm recently formulated for gauge fields represented as…

High Energy Physics - Lattice · Physics 2025-12-18 Pallabi Dey , Debasish Banerjee , Emilie Huffman

The past few years have seen considerable progress in algorithmic development for the generation of gauge fields including the effects of dynamical fermions. The Rational Hybrid Monte Carlo (RHMC) algorithm, where Hybrid Monte Carlo is…

High Energy Physics - Lattice · Physics 2008-11-26 M. A. Clark

Monte Carlo calculations of fermionic systems with continuous auxiliary fields frequently suffer from a diverging variance. If a system has the infinite variance problem, one cannot estimate observables reliably even with an infinite number…

High Energy Physics - Lattice · Physics 2023-08-17 Andrei Alexandru , Paulo Bedaque , Andrea Carosso , Hyunwoo Oh

A possible solution of the notorious sign problem preventing direct Monte Carlo calculations for systems with non-zero chemical potential is to deform the integration region in the complex plane to a Lefschetz thimble. We investigate this…

High Energy Physics - Lattice · Physics 2016-01-27 Andrei Alexandru , Gokce Basar , Paulo Bedaque

Quantum Monte Carlo (QMC) techniques are used to provide an approximation-free investigation of the phases of the one-dimensional attractive Hubbard Hamiltonian in the presence of population imbalance. The temperature at which the…

Quantum Gases · Physics 2010-07-15 M. J. Wolak , V. G. Rousseau , C. Miniatura , B. Gremaud , R. T. Scalettar , G. G. Batrouni

We describe CPMC-Lab, a Matlab program for the constrained-path and phaseless auxiliary-field Monte Carlo methods. These methods have allowed applications ranging from the study of strongly correlated models, such as the Hubbard model, to…

Strongly Correlated Electrons · Physics 2014-10-14 Huy Nguyen , Hao Shi , Jie Xu , Shiwei Zhang

The unitarity limit describes interacting particles where the range of the interaction is zero and the scattering length is infinite. We present precision benchmark calculations for two-component fermions at unitarity using three different…

Quantum Gases · Physics 2011-06-27 Shahin Bour , Xin Li , Dean Lee , Ulf-G. Meißner , Lubos Mitas

Dynamical mean-field approximation with explicit pairing is utilized to study the properties of a two-component Fermi gas at unitarity. The problem is approximated by the lattice Hubbard Hamiltonian, and the continuum limit is realized by…

Statistical Mechanics · Physics 2009-11-13 Nir Barnea

We study the ground state of the doped Hubbard model on the honeycomb lattice in the small doping and strongly interacting region. The nature of the ground state by doping holes into the anti-ferromagnetic Mott insulating states on the…

Strongly Correlated Electrons · Physics 2022-06-28 Mingpu Qin

Finite lattice models are a prototype for strongly correlated quantum systems and capture essential properties of condensed matter systems. With the dramatic progress in ultracold atoms in optical lattices, finite fermionic Hubbard systems…

Strongly Correlated Electrons · Physics 2014-09-10 Denis Lacroix , S. Hermanns , C. M. Hinz , M. Bonitz

Building on a recent investigation of the Shastry-Sutherland model [S. Wessel et al., Phys. Rev. B 98, 174432 (2018)], we develop a general strategy to eliminate the Monte Carlo sign problem near the zero temperature limit in frustrated…

Strongly Correlated Electrons · Physics 2020-08-26 Jonathan D'Emidio , Stefan Wessel , Frédéric Mila

The aim of this work is to generalize the method of Hubbard fields in fermion Quantum Monte Carlo simulation to the case of link fields. The introduced Hubbard link fields play a role of the interaction fields responsible for the attraction…

Strongly Correlated Electrons · Physics 2023-03-01 Sergey Mostovoy , Oleg Pavlovsky

Large N gauge theories with adjoint matter can be numerically studied using lattice techniques. Eguchi-Kawai reductions holds for this theory and one can reduce the lattice model to a single site. Hybrid Monte Carlo algorithm can be used to…

High Energy Physics - Lattice · Physics 2015-03-19 R. Narayanan
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