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The Hamiltonian of mean force is a widely used concept to describe the modification of the usual canonical Gibbs state for a quantum system whose coupling strength with the thermal bath is non-negligible. Here we perturbatively derive…

Quantum Physics · Physics 2022-10-26 Grigorii Timofeev , Anton Trushechkin

Traditionally, the field of computational Bayesian statistics has been divided into two main subfields: variational methods and Markov chain Monte Carlo (MCMC). In recent years, however, several methods have been proposed based on combining…

Computation · Statistics 2017-04-19 Cheng Zhang , Babak Shahbaba , Hongkai Zhao

Over the past few years, Hamiltonian effective field theory has been successfully applied to studies of nucleon and hyperon excited states. By discretizing the Hamiltonian in a finite volume, one can obtain the energy spectrum and compare…

High Energy Physics - Phenomenology · Physics 2025-12-01 Yu Zhuge , Dan Guo , Zhan-Wei Liu , Derek B. Leinweber , Anthony W. Thomas

A systematically improvable wave function is proposed for the numerical solution of strongly correlated systems. With a stochastic optimization method, based on the auxiliary field quantum Monte Carlo technique, an effective temperature…

Strongly Correlated Electrons · Physics 2022-03-22 Sandro Sorella

A new method for the stabilization of the sign problem in the Green Function Monte Carlo technique is proposed. The method is devised for real lattice Hamiltonians and is based on an iterative ''stochastic reconfiguration'' scheme which…

Condensed Matter · Physics 2009-10-31 S. Sorella

We present a technique for optimizing hundreds of thousands of variational parameters in variational quantum Monte Carlo. By introducing iterative Krylov subspace solvers and by multiplying by the Hamiltonian and overlap matrices as they…

Strongly Correlated Electrons · Physics 2013-05-30 Eric Neuscamman , C. J. Umrigar , Garnet Kin-Lic Chan

Modified Hamiltonians are used in the field of geometric numerical integration to show that symplectic schemes for Hamiltonian systems are accurate over long times. For nonlinear systems the series defining the modified Hamiltonian usually…

Numerical Analysis · Mathematics 2018-11-14 Shami A Alsallami , Jitse Niesen , Frank W Nijhoff

Although Hamiltonian Monte Carlo has proven an empirical success, the lack of a rigorous theoretical understanding of the algorithm has in many ways impeded both principled developments of the method and use of the algorithm in practice. In…

Methodology · Statistics 2014-10-21 M. J. Betancourt , Simon Byrne , Samuel Livingstone , Mark Girolami

This paper concerns a first-order algorithmic technique for a class of optimal control problems defined on switched-mode hybrid systems. The salient feature of the algorithm is that it avoids the computation of Fr\'echet or G\^ateaux…

Optimization and Control · Mathematics 2016-09-13 Yorai Wardi , Magnus Egerstedt , Muhammad Umer Qureshi

We study a trajectory-planning problem whose solution path evolves by means of a Lie group action and passes near a designated set of target positions at particular times. This is a higher-order variational problem in optimal control,…

Dynamical Systems · Mathematics 2014-03-05 Christopher L. Burnett , Darryl D. Holm , David M. Meier

A new method of extracting the low-lying energy spectrum from Monte Carlo estimates of Euclidean-space correlation functions which incorporates Bayesian inference is described and tested. The procedure fully exploits the information present…

High Energy Physics - Lattice · Physics 2009-11-07 Colin Morningstar

We address the question of ambiguity in defining a Hamiltonian for a scalar field. We point out that the Hamiltonian for a real Klein-Gordon scalar field must be consistent with the energy density obtained from the Schrodinger equation in…

High Energy Physics - Theory · Physics 2011-06-13 De-Chang Dai

An effective field theory exists describing a very large class of biophysically interesting Coulomb gas systems: the lowest order (mean-field) version of this theory takes the form of a generalized Poisson-Boltzmann theory. Interaction…

High Energy Physics - Lattice · Physics 2008-11-26 Anthony Duncan

We consider dynamically constrained Monte-Carlo dynamics and show that this leads to the generation of long ranged effective interactions. This allows us to construct a local algorithm for the simulation of charged systems without ever…

Statistical Mechanics · Physics 2009-11-10 L. Levrel , F. Alet , J. Rottler , A. C. Maggs

A universal family of Hamiltonians can be used to simulate any local Hamiltonian by encoding its full spectrum as the low-energy subspace of a Hamiltonian from the family. Many spin-lattice model Hamiltonians -- such as Heisenberg or XY…

Quantum Physics · Physics 2021-02-08 Leo Zhou , Dorit Aharonov

Hamiltonian Monte Carlo has emerged as a standard tool for posterior computation. In this article, we present an extension that can efficiently explore target distributions with discontinuous densities. Our extension in particular enables…

Computation · Statistics 2020-06-09 Akihiko Nishimura , David Dunson , Jianfeng Lu

We present a new numerical Monte Carlo approach to determine the scaling behavior of lattice field theories far from equilibrium. The presented methods are generally applicable to systems where classical-statistical fluctuations dominate…

High Energy Physics - Lattice · Physics 2013-11-19 David Mesterházy , Luca Biferale , Karl Jansen , Raffaele Tripiccione

The extended Hubbard Hamiltonian is a widely accepted model for uncovering the effects of strong correlations on the phase diagram of low-dimensional systems, and a variety of theoretical techniques have been applied to it. In this paper…

Strongly Correlated Electrons · Physics 2007-09-07 H. A. Craig , C. N. Varney , W. E. Pickett , R. T. Scalettar

Long-range interactions in finite density QCD necessitate a non-perturbative approach in order to reliably map out the key features and spectrum of the QCD phase diagram. However, the complex nature of the fermion determinant in this sector…

High Energy Physics - Lattice · Physics 2008-11-26 A. Dougall

Numerical lattice gauge theory computations to generate gauge field configurations including the effects of dynamical fermions are usually carried out using algorithms that require the molecular dynamics evolution of gauge fields using…

High Energy Physics - Lattice · Physics 2015-06-11 A. D. Kennedy , P. J. Silva , M. A. Clark