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We formulate a quantum Monte Carlo (QMC) method for calculating the ground state of many-boson systems. The method is based on a field-theoretical approach, and is closely related to existing fermion auxiliary-field QMC methods which are…

Computational Physics · Physics 2009-11-10 Wirawan Purwanto , Shiwei Zhang

A recent technique, proposed to alleviate the ``sign problem disease'', is discussed in details. As well known the ground state of a given Hamiltonian $H$ can be obtained by applying the imaginary time propagator $e^{-H \tau}$ to a given…

Condensed Matter · Physics 2009-10-31 S. Sorella , L. Capriotti

Diagrammatic Monte Carlo (DiagMC) is a numeric technique that allows one to calculate quantities specified in terms of diagrammatic expansions, the latter being a standard tool of many-body quantum statistics. The sign problem that is…

Statistical Mechanics · Physics 2019-10-18 Kris Van Houcke , Evgeny Kozik , Nikolay Prokof'ev , Boris Svistunov

Diagrammatic Monte Carlo approach is applied to a problem of a single spin-down fermion resonantly interacting with the sea of ideal spin-up fermions. On one hand, we develop a generic, sign-problem tolerant, method of exact numerical…

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

For some models of interacting fermions the known solution to the notorious sign-problem in Monte Carlo (MC) simulations is to work with macroscopic fermionic determinants; the price, however, is a macroscopic scaling of the numerical…

Strongly Correlated Electrons · Physics 2009-11-10 Evgueni Bourovski , Nikolay Prokof'ev , Boris Svistunov

The multilevel blocking algorithm recently proposed as a possible solution to the sign problem in path-integral Monte Carlo simulations has been extended to systems with long-ranged interactions along the Trotter direction. As an…

Chemical Physics · Physics 2009-11-06 R. Egger , L. Muehlbacher , C. H. Mak

Computing the ground-state energy of interacting electron (fermion) problems has recently been shown to be hard for QMA, a quantum analogue of the complexity class NP. Fermionic problems are usually hard, a phenomenon widely attributed to…

Quantum Physics · Physics 2010-02-03 Tzu-Chieh Wei , Michele Mosca , Ashwin Nayak

The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the H$_{2}$O, N$_2$, and F$_2$ molecules. The method is based on Feynman's path…

Computational Physics · Physics 2016-01-20 Xiaoyao Ma , Randall W. Hall , Frank Loffler , Karol Kowalski , Kiran Bhaskaran-Nair , Mark Jarrell , Juana Moreno

We propose a new sampling method to calculate the ground state of interacting quantum systems. This method, which we call the adaptive sampling quantum monte carlo (ASQMC) method utilises information from the high temperature density matrix…

Strongly Correlated Electrons · Physics 2009-10-31 Yoshihiro ASAI

We present a Maximum Entropy method (MEM) for obtaining dynamical spectra from Quantum Monte Carlo data which have a sign problem. By relating the sign fluctuations to the norm of the spectra, our method properly treats the correlations…

Statistical Mechanics · Physics 2007-05-23 A. Macridin , S. P. Doluweera , M. Jarrell , Th. Maier

We present a hybrid quantum-classical Green's function Monte Carlo (GFMC) algorithm for estimating the excited states of the nuclear shell model. The conventional GFMC method, widely used to find the ground state of a quantum many-body…

Quantum Physics · Physics 2025-08-25 Yongdan Yang , Ruyu Yang , Xiaosi Xu

Quantum Monte Carlo simulations of quantum many body systems are plagued by the Fermion sign problem. The computational complexity of simulating Fermions scales exponentially in the projection time $\beta$ and system size. The sign problem…

Strongly Correlated Electrons · Physics 2021-06-02 Ryan Levy , Bryan K. Clark

Monte Carlo sampling of any system may be analyzed in terms of an associated glass model -- a variant of the Random Energy Model -- with, whenever there is a sign problem, complex fields. This model has three types of phases (liquid, frozen…

Statistical Mechanics · Physics 2011-01-17 Gustavo During , Jorge Kurchan

Ab initio calculations play an essential role in our fundamental understanding of quantum many-body systems across many subfields, from strongly correlated fermions to quantum chemistry and from atomic and molecular systems to nuclear…

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 address the calculation of dynamical correlation functions for many fermion systems at zero temperature, using the auxiliary-field quantum Monte Carlo method. The two-dimensional Hubbard hamiltonian is used as a model system. Although…

Strongly Correlated Electrons · Physics 2016-08-24 Ettore Vitali , Hao Shi , Mingpu Qin , Shiwei Zhang

We develop a quantum Monte Carlo method for many fermions that allows the use of any one-particle basis. It projects out the ground state by random walks in the space of Slater determinants. An approximate approach is formulated to control…

Condensed Matter · Physics 2009-02-20 Shiwei Zhang , Henry Krakauer

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

We present a general technique for addressing sign problems that arise in Monte Carlo simulations of field theories. This method deforms the domain of the path integral to a manifold in complex field space that maximizes the average sign…

High Energy Physics - Lattice · Physics 2018-06-06 Andrei Alexandru , Paulo Bedaque , Henry Lamm , Scott Lawrence

The conventional second-order Path Integral Monte Carlo method is plagued with the sign problem in solving many-fermion systems. This is due to the large number of anti-symmetric free fermion propagators that are needed to extract the…

Computational Physics · Physics 2015-06-23 Siu A. Chin