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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

By solving the Schr\"odinger equation one obtains the whole energy spectrum, both the bound and the continuum states. If the Hamiltonian depends on a set of parameters, these could be tuned to a transition from bound to continuum states.…

Quantum Physics · Physics 2010-09-23 Sabre Kais

We apply recently developed smooth boundary conditions to the quantum Monte Carlo simulation of the two-dimensional Hubbard model. At half-filling, where there is no sign problem, we show that the thermodynamic limit is reached more rapidly…

Condensed Matter · Physics 2009-10-28 M. Vekic , S. R. White

\textit{Ab initio} quantum Monte Carlo (QMC) methods in principle allow for the calculation of exact properties of correlated many-electron systems, but are in general limited to the simulation of a finite number of electrons $N$ in…

Statistical Mechanics · Physics 2021-04-21 Tobias Dornheim , Jan Vorberger

We present an \textit{ab initio} auxiliary field quantum Monte Carlo method for studying the electronic structure of molecules, solids, and model Hamiltonians at finite temperature. The algorithm marries the \textit{ab initio} phaseless…

Strongly Correlated Electrons · Physics 2018-11-13 Yuan Liu , Minsik Cho , Brenda Rubenstein

An essentially exact solution of the infinite dimensional Hubbard model is made possible by using a self-consistent mapping of the Hubbard model in this limit to an effective single impurity Anderson model. Solving the latter with quantum…

Condensed Matter · Physics 2009-10-22 M. Jarrell , Thomas Pruschke

We describe an approach for many-body calculations with a finite-temperature, grand canonical ensemble formalism using auxiliary-field quantum Monte Carlo (AFQMC) with a self-consistent constraint to control the sign problem. The usual…

Strongly Correlated Electrons · Physics 2019-06-18 Yuan-Yao He , Mingpu Qin , Hao Shi , Zhong-Yi Lu , Shiwei Zhang

The thermodynamical cluster model is known to present a first-order liquid-gas phase transition in the idealized case of an uncharged, infinitely extended medium. However, in most practical applications of this model, the system is finite…

Nuclear Theory · Physics 2016-04-13 S. Mallik , F. Gulminelli , G. Chaudhuri

Using recent advances in auxiliary-field quantum Monte Carlo techniques and the phaseless approximation to control the sign/phase problem, we determine the equation of state in the ground state of the two-dimensional repulsive single-band…

Strongly Correlated Electrons · Physics 2008-11-20 Chia-Chen Chang , Shiwei Zhang

We introduce a quantum Monte Carlo method at finite temperature for interacting fermionic models in the canonical ensemble, where the conservation of the particle number is enforced. Although general thermodynamic arguments ensure the…

Statistical Mechanics · Physics 2017-10-19 Zhenjiu Wang , Fakher F. Assaad , Francesco Parisen Toldin

Phase separation in the Hubbard model is investigated with the dynamical cluster approximation. We find that it is present in the paramagnetic solution for values of filling smaller than one and at finite temperature when a positive…

Strongly Correlated Electrons · Physics 2007-05-23 A. Macridin , M. Jarrell , Th. Maier

Numerical results for ground state and excited state properties (energies, double occupancies, and Matsubara-axis self energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an…

We present results for the equation of state of the two-dimensional Hubbard model on an isotropic square lattice as obtained from a controlled and numerically exact large-cluster dynamical mean field simulation. Our results are obtained for…

Strongly Correlated Electrons · Physics 2013-12-11 J. P. F. LeBlanc , Emanuel Gull

We study the thermodynamics of the two-dimensional Hubbard model within the dynamical cluster approximation. We use continuous time quantum Monte Carlo as a cluster solver to avoid the systematic error which complicates the calculation of…

Strongly Correlated Electrons · Physics 2009-11-04 K. Mikelsons , E. Khatami , D. Galanakis , A. Macridin , J. Moreno , M. Jarrell

Motivated by the recent shocking results from RHIC and LHC that show quark-gluon plasma signatures in small systems, we study a simple model of a massless, noninteracting scalar field confined with Dirichlet boundary conditions. We use this…

High Energy Physics - Theory · Physics 2021-01-06 Sylvain Mogliacci , Isobel Kolbé , W. A. Horowitz

A one-dimensional model of electrons locally coupled to spin-1/2 degrees of freedom is studied by numerical techniques. The model is one in the class of $dynamic$ $Hubbard$ $models$ that describe the relaxation of an atomic orbital upon…

Strongly Correlated Electrons · Physics 2009-11-07 J. E. Hirsch

The finite-temperature phase diagram of the Hubbard model in $d=3$ is obtained from renormalization-group analysis. It exhibits, around half filling, an antiferromagnetic phase and, between 30%--40% electron or hole doping from half…

Strongly Correlated Electrons · Physics 2007-05-23 G. Migliorini , A. N. Berker

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 introduce a method that combines the power of both the lattice Green function Monte Carlo (LGFMC) with the auxiliary field techniques (AFQMC), and allows us to compute exact ground state properties of the Hubbard model for U<~ 4t on…

Strongly Correlated Electrons · Physics 2015-06-03 Sandro Sorella

Validity of modified finite-size scaling above the upper critical dimension is demonstrated for the quantum phase transition whose dynamical critical exponent is $z=2$. We consider the $N$-component Bose-Hubbard model, which is exactly…

Statistical Mechanics · Physics 2010-01-27 Yasuyuki Kato , Naoki Kawashima
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