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A novel method for simulating the statistical mechanics of molecular systems in which both nuclear and electronic degrees of freedom are treated quantum mechanically is presented. The scheme combines a path integral description of the…

Computational Physics · Physics 2009-10-31 Ruben O. Weht , Jorge Kohanoff , Dario A. Estrin , Charusita Chakravarty

We develop path-integral Monte Carlo simulations for a parabolic two-dimensional (2D) quantum dot containing $N$ interacting electrons in the presence of Dresselhaus and/or Rashba spin-orbit couplings. Our method solves in a natural way the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Stephan Weiss , R. Egger

The fermion sign problem, the biggest obstacle in quantum Monte Carlo calculations, is completely solved in this paper. Here, we find a strategy, in which the contribution from those negative-weighted paths is thoroughly cancelled or…

Computational Physics · Physics 2022-06-01 J. Wang , D. Y. Sun

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

Randomness is an intrinsic feature of quantum theory. The outcome of any quantum measurement will be random, sampled from a probability distribution that is defined by the measured quantum state. The task of sampling from a prescribed…

Quantum Physics · Physics 2021-01-19 Dominik Hangleiter

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

Quantum magic, or nonstabilizerness, provides a crucial characterization of quantum systems, regarding the classical simulability with stabilizer states. In this work, we propose a novel and efficient algorithm for computing stabilizer…

Quantum Physics · Physics 2025-02-25 Zejun Liu , Bryan K. Clark

The sign problem in quantum Monte Carlo calculations is analyzed using the meron-cluster solution. The concept of merons can be used to solve the sign problem for a limited class of models. Here we show that the method can be used to…

Strongly Correlated Electrons · Physics 2009-11-10 Sara Bergkvist , Patrik Henelius , Anders Rosengren

A real-time path integral Monte Carlo approach is developed to study the dynamics in a many-body quantum system until reaching a nonequilibrium stationary state. The approach is based on augmenting an exact reduced equation for the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Lothar Mühlbacher , Eran Rabani

Ground state properties of the Hubbard model are of fundamental importance to understand the mechanism of unconventional superconductivity in the high-T_c cuprates and other materials. One of the most powerful numerical methods for strongly…

Strongly Correlated Electrons · Physics 2026-03-30 Jodie Roberts , Beau A. Thompson , R. Torsten Clay

We discuss designer Hamiltonians---lattice models tailored to be free from sign problems ("de-signed") when simulated with quantum Monte Carlo methods but which still host complex many-body states and quantum phase transitions of interest…

Strongly Correlated Electrons · Physics 2013-03-28 Ribhu K. Kaul , Roger G. Melko , Anders W. Sandvik

In recent years dynamical systems (of deterministic and stochastic nature), describing many models in mathematics, physics, engineering and finances, become more and more complex. Numerical analysis narrowed only to deterministic algorithms…

Numerical Analysis · Mathematics 2024-02-13 Paweł Przybyłowicz

We develop a new numerical scheme which allows precise solution of coherent tunneling problems, i.e., problems with exponentially small transition amplitudes between quasidegenerate states. We explain how this method works for the…

Condensed Matter · Physics 2007-05-23 Nikolai Prokof'ev , Boris Svistunov , Igor Tupitsyn

Quantum Monte Carlo is one of the most promising approaches for dealing with large-scale quantum many-body systems. It has played an extremely important role in understanding strongly correlated physics. However, two fundamental problems,…

Strongly Correlated Electrons · Physics 2026-03-03 Zhiyan Wang , Zenan Liu , Bin-Bin Mao , Zhe Wang , Zheng Yan

Observing constituent particles with fractional quantum numbers in confined and deconfined states is an interesting and challenging problem in quantum many-body physics. Here we further explore a computational scheme [Y. Tang and A. W.…

Strongly Correlated Electrons · Physics 2016-01-05 Ying Tang , Anders W. Sandvik

We present a recently developed projector quantum Monte Carlo method for calculations of electronic structure in systems with spin-orbit interactions. The method solves for many-body eigenstates in the presence of spin-orbit using the…

Chemical Physics · Physics 2017-08-09 Cody A. Melton , M. Chandler Bennett , Lubos Mitas

Quantum spin systems with strong geometric restrictions give rise to rich quantum phases such as valence bond solids and spin liquid states. However, the geometric restrictions often hamper the application of sophisticated numerical…

Statistical Mechanics · Physics 2019-05-01 Zheng Yan , Yongzheng Wu , Chenrong Liu , Olav F. Syljuåsen , Jie Lou , Yan Chen

Based on the scheme of variational Monte Carlo sampling, we develop an accurate and efficient two-dimensional tensor-network algorithm to simulate quantum lattice models. We find that Monte Carlo sampling shows huge advantages in dealing…

Strongly Correlated Electrons · Physics 2021-06-28 Wen-Yuan Liu , Yi-Zhen Huang , Shou-Shu Gong , Zheng-Cheng Gu

We address the possibility of performing numerical Monte Carlo simulations for the thermodynamics of quantum dissipative systems. Dissipation is considered within the Caldeira-Leggett formulation, which describes the system in the…

Statistical Mechanics · Physics 2007-05-23 Luca Capriotti , Alessandro Cuccoli , Andrea Fubini , Valerio Tognetti , Ruggero Vaia

We describe a novel simulation method that eliminates the slowing-down problem in the Monte Carlo simulations of imaginary-time path integrals near the continuum limit. This method combines a stochastic blocking procedure with the multigrid…

Statistical Mechanics · Physics 2007-05-23 C. H. Mak , Sergei Zakharov