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We generalize the Time-Dependent Variational Principle (TDVP) to dissipative systems using Monte Carlo methods, allowing the application of existing variational classes for pure states, such as Matrix Product States (MPS), to the simulation…

Quantum Physics · Physics 2014-11-21 F. W. G. Transchel , A. Milsted , Tobias J. Osborne

In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…

Atomic Physics · Physics 2025-01-28 Ivan P. Christov

Correlations between different partitions of quantum systems play a central role in a variety of many-body quantum systems, and they have been studied exhaustively in experimental and theoretical research. Here, we investigate dynamical…

The theoretical analysis of the Adiabatic Quantum Computation protocol presents several challenges resulting from the difficulty of simulating, with classical resources, the unitary dynamics of a large quantum device. We present here a…

Quantum Physics · Physics 2024-03-11 Giuseppe Carleo , Bela Bauer , Matthias Troyer

We introduce a `virtual-move' Monte Carlo (VMMC) algorithm for systems of pairwise-interacting particles. This algorithm facilitates the simulation of particles possessing attractions of short range and arbitrary strength and geometry, an…

Statistical Mechanics · Physics 2009-11-11 Stephen Whitelam , Phillip L. Geissler

The phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) method is a stochastic imaginary-time projection technique for computing ground-state properties of strongly correlated quantum systems, with accuracy that depends critically on…

Neural-network quantum states (NQS) employ artificial neural networks to encode many-body wave functions in second quantization through variational Monte Carlo (VMC). They have recently been applied to accurately describe electronic wave…

Chemical Physics · Physics 2023-11-27 Xiang Li , Jia-Cheng Huang , Guang-Ze Zhang , Hao-En Li , Chang-su Cao , Dingshun Lv , Han-Shi Hu

Diffusion Monte Carlo (DMC) based on fixed-node approximation has enjoyed significant developments in the past decades and become one of the go-to methods when accurate ground state energy of molecules and materials is needed. The remaining…

Chemical Physics · Physics 2023-08-07 Weiluo Ren , Weizhong Fu , Xiaojie Wu , Ji Chen

Monte Carlo simulation based on Metropolis algorithm has been used with a great success to analyze the dynamic phase transition properties of a single spherical core-shell nanoparticle system with a spin-3/2 core surrounded by a spin-1…

Statistical Mechanics · Physics 2015-06-15 Erol Vatansever , Hamza Polat

We develop a method for studying the real time dynamics of Heisenberg operators in strongly-interacting nonequilibrium quantum impurity models. Our method is applicable to a wide range of interaction strengths and to bias voltages beyond…

Strongly Correlated Electrons · Physics 2015-05-07 Pei Wang , Guy Cohen , Shaojun Xu

Programmable quantum simulators based on Rydberg atom arrays are a fast-emerging quantum platform, bringing together long coherence times, high-fidelity operations, and large numbers of interacting qubits deterministically arranged in…

A numerical approach is presented that allows to compute nonequilibrium steady state properties of strongly correlated quantum many-body systems. The method is imbedded in the Keldysh Green's function formalism and is based upon the idea of…

Strongly Correlated Electrons · Physics 2011-10-26 Michael Knap , Wolfgang von der Linden , Enrico Arrigoni

We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefunction [Phys. Rev. Lett. 113, 083003 (2014)]. Starting with…

Mesoscale and Nanoscale Physics · Physics 2019-02-27 Guillermo Albareda , Aaron Kelly , Angel Rubio

Efficient continuous time quantum Monte Carlo (CT-QMC) algorithms that do not suffer from time discretization errors have become the state-of-the-art for most discrete quantum models. They have not been widely used yet for fermionic quantum…

Strongly Correlated Electrons · Physics 2015-07-08 Mauro Iazzi , Matthias Troyer

A first-principles approach to describe electron dynamics in open quantum systems driven far from equilibrium via external time-dependent stimuli is introduced. Within this approach, the driven Liouville von Neumann methodology is used to…

Mesoscale and Nanoscale Physics · Physics 2023-05-10 Annabelle Oz , Abraham Nitzan , Oded Hod , Juan E. Peralta

We examine the application of the Variational Monte Carlo (VMC) method to a cluster model for halo nuclei. Particular attention is paid to the error estimate in the presence of correlations in the underlying random walk. We analyse the…

Nuclear Theory · Physics 2009-11-10 Theodoros Leontiou , Niels R. Walet

A variational principle enabling one to compute individual Floquet states of a periodically time-dependent quantum system is formulated, and successfully tested against the benchmark system provided by the analytically solvable model of a…

Quantum Physics · Physics 2020-10-29 Nils Krüger

The Quantum Monte Carlo method for spin 1/2 fermions at finite temperature is formulated for dilute systems with an s-wave interaction. The motivation and the formalism are discussed along with descriptions of the algorithm and various…

Statistical Mechanics · Physics 2009-02-05 Aurel Bulgac , Joaquin E. Drut , Piotr Magierski

We provide a theoretical framework to describe the nonequilibrium temporal dynamics of correlated electron systems for realistic system parameters and the consequent, often exponentially long time scales. It is based on an entirely…

Strongly Correlated Electrons · Physics 2026-05-29 Francisco Meirinhos , Michael Turaev , Michael Kajan , Tim Bode , Johann Kroha

The variational Monte Carlo method is used to find the ground state of six quarks confined to a cavity of diameter R_c, interacting via an assumed non-relativistic constituent quark model (CQM) Hamiltonian. We use a flux-tube model…

Nuclear Theory · Physics 2009-11-06 Mark W. Paris , Vijay R. Pandharipande