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New Quantum Monte Carlo Method for Determining the Equation of State of One-Dimensional Fermions in Harmonic Traps

Casey Berger

Published May 1, 2015• 0 citations
OpenAlex

Abstract

The system of interacting, trapped fermions in one dimension has been of interest in both the theoretical and experimental communities. This system is realizable experimentally using ultracold atoms in traps, where the interactions can be tuned to simulate a number of important situations in nuclear theory, condensed matter, quantum information, and QCD. Theoretically, however, this system remains a challenge to treat, and no known benchmarks exist for the ground state energy, Tan's contact, or density profiles for the few- to many-body regime. This project implements a lattice Monte Carlo (LMC) method to solve for these quantities. The method blends hybrid Monte Carlo (HMC) - a pillar of lattice quantum chromodynamics (lattice QCD) - with a non-uniform lattice defined using Gauss-Hermite quadrature points and weights. This coordinate basis is the natural one for the harmonic oscillator trapping potential, and can be generalized to traps of other shapes. Using this method, we determine the ground-state energy and Tan's contact of attractively interacting few-fermion systems in a one-dimensional harmonic trap, for a range of couplings and particle numbers. Complementing those results, we show the corresponding density profiles. We present results for $N = 4,...,20$ particles - and the method is capable of extending beyond that. The method is the first lattice calculation of its kind, and is exact up to statistical and systematic uncertainties, which we account for. Our results are therefore a benchmark for other methods and a prediction for ultracold-atom experiments.

Related papers

Energy, contact, and density profiles of one-dimensional fermions in a harmonic trap via nonuniform-lattice Monte Carlo calculations

Casey Berger, E. R. Anderson, Joaquín E. Drut

We determine the ground-state energy and Tan's contact of attractively interacting few-fermion systems in a one-dimensional harmonic trap, for a range of couplings and particle numbers. Complementing those results, we show the corresponding density profiles. The calculations were performed with a lattice Monte Carlo approach based on a nonuniform discretization of space, defined via Gauss-Hermite quadrature points and weights. This particular coordinate basis is natural for systems in harmonic traps, and can be generalized to traps of other shapes. In all cases, it yields a position-dependent coupling and a corresponding nonuniform Hubbard-Stratonovich transformation. The resulting path integral is performed with hybrid Monte Carlo as a proof of principle for calculations at finite temperature and in higher dimensions. We present results for $N=4,...,20$ particles (although the method can be extended beyond that) to cover the range from few- to many-particle systems. This method is exact up to statistical and systematic uncertainties, which we account for---and thus also represents an ab initio calculation of this system, providing a benchmark for other methods and a prediction for ultracold-atom experiments.

arXiv:1410.8103•Physical Review A•May 20, 2015•21 citations

Harmonically trapped fermions in one dimension: A finite-temperature lattice Monte Carlo study

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We study a one-dimensional two-component Fermi gas in a harmonic trapping potential using finite-temperature lattice quantum Monte Carlo methods. We are able to compute observables in the canonical ensemble via an efficient projective approach. Results for density profiles, correlations, as well as energy-related observables are presented for systems with up to 80 particles and various temperatures. Our simulations reproduce known numerical results and compare well against available experimental data close to the ground state, while at higher temperature they are benchmarked against the exact solution of the two-particle system. This provides an indication that a standard lattice discretization is sufficient to capture the physics of the trapped system. In the special case of a spin-imbalanced gas, we find no sign problem in the studied parameter ranges, allowing access without the need of specialized methods. This includes simulations close to the ground state and at large population imbalance, where we present results for density correlations, indicating pairing at finite total momentum.

arXiv:2309.06766•Physical Review A•Mar 5, 2024•2 citations

Ground-state energy, density profiles, and momentum distribution of attractively interacting 1D Fermi gases with hard-wall boundaries: a Monte Carlo study

Shill,, Drut,, Porter Porter +1 more

Motivated by the realization of hard-wall boundary conditions in experiments with ultracold atoms, we investigate the ground-state properties of spin-1/2 fermions with attractive interactions in a one-dimensional box.We use lattice Monte Carlo methods to determine essential quantities like the energy, which we compute as a function of coupling strength and particle number in the regime from few to many particles.Many-fermion systems bound by hard walls display non-trivial density profiles characterized by so-called Friedel oscillations (which are similar to those observed in harmonic traps).In non-interacting systems, the characteristic length scale of the oscillations is set by (2k F ) -1 , where k F is the Fermi momentum, while repulsive interactions tend to generate Wignercrystal oscillations of period (4k F ) -1 .Based on the non-interacting result, we find a remarkably simple parametrization of the density profiles of the attractively interacting case, which we generalize to the one-body density matrix.While the total momentum is not a conserved quantity in the presence of hard walls, the magnitude of the momentum does provide a good quantum number.We are therefore able to provide a detailed characterization of the (quasi-)momentum distribution, which displays rather robust discontinuity at the Fermi surface.In addition, we determine the spatially varying on-site density-density correlation, which in turn yields Tan's contact density and, upon integration, Tan's contact.As is well known, the latter fully determines the short-range correlations and plays a crucial role in a multitude of equilibrium and non-equilibrium sum rules.

•Apr 18, 2020•0 citations

Ground-state energy, density profiles, and momentum distribution of attractively interacting 1D Fermi gases with hard-wall boundaries: a Monte Carlo study

J. R. McKenney, C R Shill, W J Porter +1 more

Abstract Motivated by the realization of hard-wall boundary conditions in experiments with ultracold atoms, we investigate the ground-state properties of spin-1/2 fermions with attractive interactions in a one-dimensional box. We use lattice Monte Carlo methods to determine essential quantities like the energy, which we compute as a function of coupling strength and particle number in the regime from few to many particles. Many-fermion systems bound by hard walls display non-trivial density profiles characterized by so-called Friedel oscillations (which are similar to those observed in harmonic traps). In non-interacting systems, the characteristic length scale of the oscillations is set by ( 2 k F ) − 1 , where k F is the Fermi momentum, while repulsive interactions tend to generate Wigner-crystal oscillations of period ( 4 k F ) − 1 . Based on the non-interacting result, we find a remarkably simple parametrization of the density profiles of the attractively interacting case, which we generalize to the one-body density matrix. While the total momentum is not a conserved quantity in the presence of hard walls, the magnitude of the momentum does provide a good quantum number. We are therefore able to provide a detailed characterization of the (quasi-)momentum distribution, which displays rather robust discontinuity at the Fermi surface. In addition, we determine the spatially varying on-site density–density correlation, which in turn yields Tan’s contact density and, upon integration, Tan’s contact. As is well known, the latter fully determines the short-range correlations and plays a crucial role in a multitude of equilibrium and non-equilibrium sum rules.

arXiv:1510.08503•Journal of Physics B Atomic Molecular and Optical Physics•Oct 24, 2016•11 citations

Harmonically trapped fermions in two dimensions: Ground-state energy and contact of SU(2) and SU(4) systems via a nonuniform lattice Monte Carlo method

Zhihuan Luo, Casey Berger, Joaquín E. Drut

We study harmonically trapped, unpolarized fermion systems with attractive interactions in two spatial dimensions with spin degeneracies ${N}_{f}^{}=2$ and 4 and $N/{N}_{f}^{}=1,\phantom{\rule{0.28em}{0ex}}3,\phantom{\rule{0.28em}{0ex}}5$, and 7 particles per flavor. We carry out our calculations using our recently proposed quantum Monte Carlo method on a nonuniform lattice. We report on the ground-state energy and contact for a range of couplings, as determined by the binding energy of the two-body system, and show explicitly how the physics of the ${N}_{f}$-body sector dominates as the coupling is increased.

arXiv:1510.02980•Physical Review A•Mar 2, 2016•9 citations

Numerical study of unitary fermions in one spatial dimension

Michael G. Endres

I perform lattice Monte Carlo studies of universal four-component fermion systems in one spatial dimension. Continuum few-body observables (i.e., ground-state energies and integrated contact densities) are determined for both unpolarized and polarized systems of up to eight fermions confined to a harmonic trap. Estimates of the continuum energies for four and five trapped fermions show agreement with exact analytic calculations to within approximately one percent statistical uncertainties. Continuum many-body observables are determined for unpolarized systems of up to 88 fermions confined to a finite box, and 56 fermions confined to a harmonic trap. Results are reported for universal quantities such as the Bertsch parameter, defined as the energy of the untrapped many-body system in units of the corresponding free-gas energy, and its subleading correction at large but finite scattering length. Two independent estimates of these quantities are obtained from thermodynamic limit extrapolations of continuum extrapolated observables. A third estimate of the Bertsch parameter is obtained by combining estimates of the untrapped and trapped integrated contact densities with additional theoretical input from a calculation based on Thomas-Fermi theory. All estimates of the Bertsch parameter and its subleading correction are found to be consistent to within approximately one percent statistical uncertainties. Finally, the continuum restoration of virial theorems is verified for both few- and many-body systems confined to a trap.

arXiv:1302.6694•Physical Review A•Jun 19, 2013•4 citations
The system of interacting, trapped fermions in one dimension has been of interest in both the theoretical and experimental communities. This system is realizable experimentally using ultracold atoms in traps, where the interactions can be tuned to simulate a number of important situations in nuclear theory, condensed matter, quantum information, and QCD. Theoretically, however, this system remains a challenge to treat, and no known benchmarks exist for the ground state energy, Tan's contact, or density profiles for the few- to many-body regime. This project implements a lattice Monte Carlo (LMC) method to solve for these quantities. The method blends hybrid Monte Carlo (HMC) - a pillar of lattice quantum chromodynamics (lattice QCD) - with a non-uniform lattice defined using Gauss-Hermite quadrature points and weights. This coordinate basis is the natural one for the harmonic oscillator trapping potential, and can be generalized to traps of other shapes. Using this method, we determine the ground-state energy and Tan's contact of attractively interacting few-fermion systems in a one-dimensional harmonic trap, for a range of couplings and particle numbers. Complementing those results, we show the corresponding density profiles. We present results for N=4,...,20N = 4,...,20N=4,...,20 particles - and the method is capable of extending beyond that. The method is the first lattice calculation of its kind, and is exact up to statistical and systematic uncertainties, which we account for. Our results are therefore a benchmark for other methods and a prediction for ultracold-atom experiments.
We determine the ground-state energy and Tan's contact of attractively interacting few-fermion systems in a one-dimensional harmonic trap, for a range of couplings and particle numbers. Complementing those results, we show the corresponding density profiles. The calculations were performed with a lattice Monte Carlo approach based on a nonuniform discretization of space, defined via Gauss-Hermite quadrature points and weights. This particular coordinate basis is natural for systems in harmonic traps, and can be generalized to traps of other shapes. In all cases, it yields a position-dependent coupling and a corresponding nonuniform Hubbard-Stratonovich transformation. The resulting path integral is performed with hybrid Monte Carlo as a proof of principle for calculations at finite temperature and in higher dimensions. We present results for N=4,...,20N=4,...,20N=4,...,20 particles (although the method can be extended beyond that) to cover the range from few- to many-particle systems. This method is exact up to statistical and systematic uncertainties, which we account for---and thus also represents an ab initio calculation of this system, providing a benchmark for other methods and a prediction for ultracold-atom experiments.
We study a one-dimensional two-component Fermi gas in a harmonic trapping potential using finite-temperature lattice quantum Monte Carlo methods. We are able to compute observables in the canonical ensemble via an efficient projective approach. Results for density profiles, correlations, as well as energy-related observables are presented for systems with up to 80 particles and various temperatures. Our simulations reproduce known numerical results and compare well against available experimental data close to the ground state, while at higher temperature they are benchmarked against the exact solution of the two-particle system. This provides an indication that a standard lattice discretization is sufficient to capture the physics of the trapped system. In the special case of a spin-imbalanced gas, we find no sign problem in the studied parameter ranges, allowing access without the need of specialized methods. This includes simulations close to the ground state and at large population imbalance, where we present results for density correlations, indicating pairing at finite total momentum.
Motivated by the realization of hard-wall boundary conditions in experiments with ultracold atoms, we investigate the ground-state properties of spin-1/2 fermions with attractive interactions in a one-dimensional box.We use lattice Monte Carlo methods to determine essential quantities like the energy, which we compute as a function of coupling strength and particle number in the regime from few to many particles.Many-fermion systems bound by hard walls display non-trivial density profiles characterized by so-called Friedel oscillations (which are similar to those observed in harmonic traps).In non-interacting systems, the characteristic length scale of the oscillations is set by (2k F ) -1 , where k F is the Fermi momentum, while repulsive interactions tend to generate Wignercrystal oscillations of period (4k F ) -1 .Based on the non-interacting result, we find a remarkably simple parametrization of the density profiles of the attractively interacting case, which we generalize to the one-body density matrix.While the total momentum is not a conserved quantity in the presence of hard walls, the magnitude of the momentum does provide a good quantum number.We are therefore able to provide a detailed characterization of the (quasi-)momentum distribution, which displays rather robust discontinuity at the Fermi surface.In addition, we determine the spatially varying on-site density-density correlation, which in turn yields Tan's contact density and, upon integration, Tan's contact.As is well known, the latter fully determines the short-range correlations and plays a crucial role in a multitude of equilibrium and non-equilibrium sum rules.
Abstract Motivated by the realization of hard-wall boundary conditions in experiments with ultracold atoms, we investigate the ground-state properties of spin-1/2 fermions with attractive interactions in a one-dimensional box. We use lattice Monte Carlo methods to determine essential quantities like the energy, which we compute as a function of coupling strength and particle number in the regime from few to many particles. Many-fermion systems bound by hard walls display non-trivial density profiles characterized by so-called Friedel oscillations (which are similar to those observed in harmonic traps). In non-interacting systems, the characteristic length scale of the oscillations is set by ( 2 k F ) − 1 , where k F is the Fermi momentum, while repulsive interactions tend to generate Wigner-crystal oscillations of period ( 4 k F ) − 1 . Based on the non-interacting result, we find a remarkably simple parametrization of the density profiles of the attractively interacting case, which we generalize to the one-body density matrix. While the total momentum is not a conserved quantity in the presence of hard walls, the magnitude of the momentum does provide a good quantum number. We are therefore able to provide a detailed characterization of the (quasi-)momentum distribution, which displays rather robust discontinuity at the Fermi surface. In addition, we determine the spatially varying on-site density–density correlation, which in turn yields Tan’s contact density and, upon integration, Tan’s contact. As is well known, the latter fully determines the short-range correlations and plays a crucial role in a multitude of equilibrium and non-equilibrium sum rules.
We study harmonically trapped, unpolarized fermion systems with attractive interactions in two spatial dimensions with spin degeneracies Nf=2{N}_{f}^{}=2Nf​=2 and 4 and N/Nf=1,3,5N/{N}_{f}^{}=1,\phantom{\rule{0.28em}{0ex}}3,\phantom{\rule{0.28em}{0ex}}5N/Nf​=1,3,5, and 7 particles per flavor. We carry out our calculations using our recently proposed quantum Monte Carlo method on a nonuniform lattice. We report on the ground-state energy and contact for a range of couplings, as determined by the binding energy of the two-body system, and show explicitly how the physics of the Nf{N}_{f}Nf​-body sector dominates as the coupling is increased.
I perform lattice Monte Carlo studies of universal four-component fermion systems in one spatial dimension. Continuum few-body observables (i.e., ground-state energies and integrated contact densities) are determined for both unpolarized and polarized systems of up to eight fermions confined to a harmonic trap. Estimates of the continuum energies for four and five trapped fermions show agreement with exact analytic calculations to within approximately one percent statistical uncertainties. Continuum many-body observables are determined for unpolarized systems of up to 88 fermions confined to a finite box, and 56 fermions confined to a harmonic trap. Results are reported for universal quantities such as the Bertsch parameter, defined as the energy of the untrapped many-body system in units of the corresponding free-gas energy, and its subleading correction at large but finite scattering length. Two independent estimates of these quantities are obtained from thermodynamic limit extrapolations of continuum extrapolated observables. A third estimate of the Bertsch parameter is obtained by combining estimates of the untrapped and trapped integrated contact densities with additional theoretical input from a calculation based on Thomas-Fermi theory. All estimates of the Bertsch parameter and its subleading correction are found to be consistent to within approximately one percent statistical uncertainties. Finally, the continuum restoration of virial theorems is verified for both few- and many-body systems confined to a trap.