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Within the imaginary-time theory for nonequilibrium in quantum dot systems the calculation of dynamical quantities like Green's functions is possible via a suitable quantum Monte-Carlo algorithm. The challenging task is to analytically…

Strongly Correlated Electrons · Physics 2013-07-04 Andreas Dirks , Jong E. Han , Mark Jarrell , Thomas Pruschke

Variational Monte Carlo and Green's function Monte Carlo are powerful tools for calculations of properties of light nuclei using realistic two-nucleon and three-nucleon potentials. Recently the GFMC method has been extended to multiple…

Nuclear Theory · Physics 2009-11-10 Steven C. Pieper

We present a new efficient method for Monte Carlo simulations of diffusion-reaction processes. First introduced by us in [Phys. Rev. Lett., 97:230602, 2006], the new algorithm skips the traditional small diffusion hops and propagates the…

Materials Science · Physics 2013-05-29 T. Oppelstrup , V. V. Bulatov , A. Donev , M. H. Kalos , G. H. Gilmer , B. Sadigh

Neural Network-based Quantum Monte Carlo (NNQMC), an emerging method for solving many-body quantum systems with high accuracy, has been limitedly applied to small systems due to demanding computation requirements. In this work, we introduce…

We present details of the derivation of local chiral effective field theory interactions to next-to-next-to-leading order, and show results for nucleon-nucleon phase shifts and deuteron properties for these potentials. We then perform…

Nuclear Theory · Physics 2014-11-27 A. Gezerlis , I. Tews , E. Epelbaum , M. Freunek , S. Gandolfi , K. Hebeler , A. Nogga , A. Schwenk

We generalize the imaginary chemical potential quantum Monte Carlo (QMC) method proposed by Dagotto et al. [Phys. Rev. B 41, R811 (1990)] to systems without particle-hole symmetry. The generalized method is tested by comparing the results…

Strongly Correlated Electrons · Physics 2009-11-10 Fei Lin , Jurij Smakov , Erik S. Sorensen , Catherine Kallin , A. John Berlinsky

The GW method is a many-body approach capable of providing quasiparticle bands for realistic systems spanning physics, chemistry, and materials science. Despite its power, GW is not routinely applied to large complex materials due to its…

Materials Science · Physics 2020-01-29 Minjung Kim , Glenn J. Martyna , Sohrab Ismail-Beigi

Space-time dependence of imaginary-time propagators, vital for \textit{ab initio} and many-body calculations based on quantum field theories, has been revealed to be compressible using Quantum Tensor Trains (QTTs) [Phys. Rev. X {\bf 13},…

Strongly Correlated Electrons · Physics 2025-01-09 Haruto Takahashi , Rihito Sakurai , Hiroshi Shinaoka

The quantum partition function at finite temperature requires computing the trace of the imaginary time propagator. For numerical and Monte Carlo calculations, the propagator is usually split into its kinetic and potential parts. A higher…

Statistical Mechanics · Physics 2009-11-10 Siu A. Chin

We present a version of the T-moves approach for treating nonlocal pseudopotentials in diffusion Monte Carlo which has much smaller time-step errors than the existing T-moves approaches, while at the same time preserving desirable features…

Chemical Physics · Physics 2021-07-29 Tyler A. Anderson , C. J. Umrigar

In this paper, we solve quantum many-body problem by propagating ensembles of trajectories and guiding waves in physical space. We introduce the 'effective potential' correction within the recently proposed time-dependent quantum Monte…

Quantum Physics · Physics 2025-02-05 Ivan P. Christov

Quantum Monte Carlo and semiclassical methods are used to solve two and four site cluster dynamical mean field approximations to the square lattice Hubbard model at half filling and strong coupling. The energy, spin correlation function,…

Strongly Correlated Electrons · Physics 2009-11-11 Andreas Fuhrmann , Satoshi Okamoto , Hartmut Monien , Andrew J. Millis

We describe a path-integral ground-state quantum Monte Carlo method for light nuclei in continuous space. We show how to efficiently update and sample the paths with spin-isospin dependent and spin-orbit interactions. We apply the method to…

Nuclear Theory · Physics 2022-10-28 Rong Chen , Kevin E. Schmidt

The objective of the present paper is to use the well known Ross-Macdonald models as a prototype, incorporating spatial movements, identifying different times scales and proving a singular perturbation result using a system of local and…

Analysis of PDEs · Mathematics 2023-07-19 Marcone C. Pereira , Sergio Oliva , Larissa M. Sartori

Quantum Monte Carlo methods have recently been employed to study properties of nuclei and infinite matter using local chiral effective field theory interactions. In this work, we present a detailed description of the auxiliary field…

Nuclear Theory · Physics 2018-05-02 D. Lonardoni , S. Gandolfi , J. E. Lynn , C. Petrie , J. Carlson , K. E. Schmidt , A. Schwenk

We reformulate the projected imaginary-time evolution of Full Configuration Interaction Quantum Monte Carlo in terms of a Lagrangian minimization. This naturally leads to the admission of polynomial complex wavefunction parameterizations,…

Strongly Correlated Electrons · Physics 2017-05-03 Lauretta R. Schwarz , A. Alavi , George H. Booth

Since its first description fifty years ago, the Metropolis Monte Carlo method has been used in a variety of different ways for the simulation of continuum quantum many-body systems. This paper will consider some of the generalizations of…

Computational Physics · Physics 2009-11-10 D. M. Ceperley

Numerically exact continuous-time Quantum Monte Carlo algorithm for finite fermionic systems with non-local interactions is proposed. The scheme is particularly applicable for general multi-band time-dependent correlations since it does not…

Strongly Correlated Electrons · Physics 2009-11-10 A. N. Rubtsov , A. I. Lichtenstein

Local chiral effective field theory interactions have recently been developed and used in the context of quantum Monte Carlo few- and many-body methods for nuclear physics. In this work, we go over detailed features of local chiral…

Nuclear Theory · Physics 2017-12-07 J. E. Lynn , I. Tews , J. Carlson , S. Gandolfi , A. Gezerlis , K. E. Schmidt , A. Schwenk

We perform a comprehensive analysis of the quantum-enhanced Monte Carlo method [Nature, 619, 282-287 (2023)], aimed at identifying the optimal working point of the algorithm. We observe an optimal mixing Hamiltonian strength and analyze the…

Quantum Physics · Physics 2025-07-01 Johannes Christmann , Petr Ivashkov , Mattia Chiurco , Guglielmo Mazzola