English
Related papers

Related papers: Quantum Monte Carlo method for models of molecular…

200 papers

The coherent superposition of non-orthogonal fermionic Gaussian states has been shown to be an efficient approximation to the ground states of quantum impurity problems [Bravyi and Gosset,Comm. Math. Phys.,356 451 (2017)]. We present a…

Strongly Correlated Electrons · Physics 2021-09-01 Samuel Boutin , Bela Bauer

We present a quantum Monte Carlo (QMC) technique for calculating the exact finite-temperature properties of Bose-Fermi mixtures. The Bose-Fermi Auxiliary-Field Quantum Monte Carlo (BF-AFQMC) algorithm combines two methods, a…

Quantum Gases · Physics 2012-12-04 Brenda M. Rubenstein , Shiwei Zhang , David R. Reichman

We investigate the attractive Fermi polaron problem in two dimensions using non-perturbative Monte Carlo simulations. We introduce a new Monte Carlo algorithm called the impurity lattice Monte Carlo method. This algorithm samples the path…

Quantum Gases · Physics 2015-10-29 Shahin Bour , Dean Lee , H. -W. Hammer , Ulf-G. Meißner

We compute exactly the low-energy single-electron Green's function, the impurity and electron self-energies, and the resistivity for the two-channel Anderson impurity model. These results are obtained by exploiting the boundary conformal…

Strongly Correlated Electrons · Physics 2007-05-23 H. Johannesson , C. J. Bolech , N. Andrei

We derive analytically the leading beyond-mean field contributions to the zero-temperature equation of state and to the fermionic quasi-particle residue and effective mass of a dilute Bose-Fermi mixture in two dimensions. In the repulsive…

In the framework of the hybrid quantum-classical variational cluster approach (VCA) to strongly correlated electron systems one of the goals of a quantum subroutine is to find single-particle correlation functions of lattice fermions in…

Quantum Physics · Physics 2025-06-26 Gino Bishop , Dmitry Bagrets , Frank K. Wilhelm

Employing a classical density-functional description of liquid environments, we introduce a rigorous method for the diffusion quantum Monte Carlo calculation of free energies and thermodynamic averages of solvated systems that requires…

We introduce the first bold diagrammatic Monte Carlo approach to deal with polaron problems at finite density non-perturbatively, i.e., by including vertex corrections to high orders. Using Holstein model on a square lattice as a…

Strongly Correlated Electrons · Physics 2015-04-10 Andrey S. Mishchenko , Naoto Nagaosa , Nikolay Prokof'ev

We develop a continuous-time quantum Monte Carlo (CTQMC) method for quantum impurities coupled to interacting quantum wires described by a Tomonaga-Luttinger liquid. The method is negative-sign free for any values of the Tomonaga-Luttinger…

Strongly Correlated Electrons · Physics 2015-06-19 K. Hattori , A. Rosch

We study a quantum impurity coupled to the edge states of a two-dimensional helical topological superconductor, i.e., to a pair of counterpropagating Majorana fermion edge channels with opposite spin polarizations. For an impurity described…

Strongly Correlated Electrons · Physics 2011-11-15 Rok Zitko , Pascal Simon

We present a continuous-time Monte Carlo method for quantum impurity models, which combines a weak-coupling expansion with an auxiliary-field decomposition. The method is considerably more efficient than Hirsch-Fye and free of time…

Strongly Correlated Electrons · Physics 2008-06-02 Emanuel Gull , Philipp Werner , Olivier Parcollet , Matthias Troyer

Quantum Monte Carlo (QMC) methods are one of the most important tools for studying interacting quantum many-body systems. The vast majority of QMC calculations in interacting fermion systems require a constraint to control the sign problem.…

Strongly Correlated Electrons · Physics 2016-12-08 Mingpu Qin , Hao Shi , Shiwei Zhang

Ab-initio Monte Carlo simulations of strongly-interacting fermionic systems are plagued by the fermion sign problem, making the non-perturbative study of many interesting regimes of dense quantum matter, or of theories of odd numbers of…

High Energy Physics - Lattice · Physics 2024-03-05 Debasish Banerjee , Emilie Huffman

Variational Monte Carlo is a many-body numerical method that scales well with system size. It has been extended to study the Green function only recently by Charlebois and Imada (2020). Here we generalize the approach to systems with open…

Strongly Correlated Electrons · Physics 2022-12-20 P. Rosenberg , D. Sénéchal , A. -M. S. Tremblay , M. Charlebois

The calculation of thermal conductivity in insulating solids at temperatures below the Debye temperature is problematic, due to the breakdown of classical and semi-classical approaches. In this work, we present a fully quantum methodology…

Statistical Mechanics · Physics 2026-02-19 Vladislav Efremkin , Stefano Mossa , Jean-Louis Barrat , Markus Holzmann

It is shown that the Hamiltonian for a quantum magnetic impurity on the surface of a topological insulator can be mapped to the conventional pseudo-gap Anderson impurity model, albeit with the combinations of continuum states which…

Strongly Correlated Electrons · Physics 2011-02-07 Rok Zitko

We study a pseudogap Anderson-Holstein model of a magnetic impurity level that hybridizes with a conduction band whose density of states vanishes in power-law fashion at the Fermi energy, and couples, via its charge, to a nondispersive…

Strongly Correlated Electrons · Physics 2013-02-27 Mengxing Cheng , Kevin Ingersent

For important classes of many-fermion problems, quantum Monte Carlo (QMC) methods allow exact calculations of ground-state and finite-temperature properties, without the sign problem. The list spans condensed matter, nuclear physics, and…

Computational Physics · Physics 2016-03-23 Hao Shi , Shiwei Zhang

Using the cumulant Green's functions method (CGFM), we study the single impurity Anderson model (SIAM). The CGFM starting point is a diagonalization of the SIAM Hamiltonian expressed in a semi-chain form, containing N sites, viz., a…

Strongly Correlated Electrons · Physics 2024-09-26 T. M. Sobreira , T. O. Puel , M. A. Manya , S. E. Ulloa , G. B. Martins , J. Silva-Valencia , R. N. Lira , M. S. Figueira

We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a…

Condensed Matter · Physics 2009-10-28 Shiwei Zhang , J. Carlson , J. E. Gubernatis