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Stochastic and Semi-Classical Approaches to the Quantum Virial Expansion

C. R. Shill

Published Jan 9, 2020• 0 citations
Publisher

Abstract

Many-body quantum systems provide an interesting playground for experimentalists and theorists alike. In particular, ultracold atomic gases provide not only a realm of study for which experiments have a high degree of control but also provides theorists with intriguing, yet challenging systems that may be accessed computationally. It is for these reasons that it is here where the majority of our work will focus. We discuss the necessary physics, thermodynamics, and computational methods for carrying out this work, and present several methods for computing coefficients of the quantum virial expansion across dimensions for Fermi gases with zero-range interactions. The techniques discussed are non-perturbative and involve stochastic methods as well as a semi-classical lattice approximation. Through these algorithms, we have computed the interaction dependence (both attractive and repulsive where applicable) of the virial coefficients to a relatively high order as compared to current literature in one, two, and three spatial dimensions. Through one of said methods, we are able to provide a prediction for the radius of convergence of the virial expansion in one spatial dimension.

DOI
10.17615/wh6g-r529

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Many-body quantum systems provide an interesting playground for experimentalists and theorists alike. In particular, ultracold atomic gases provide not only a realm of study for which experiments have a high degree of control but also provides theorists with intriguing, yet challenging systems that may be accessed computationally. It is for these reasons that it is here where the majority of our work will focus. We discuss the necessary physics, thermodynamics, and computational methods for carrying out this work, and present several methods for computing coefficients of the quantum virial expansion across dimensions for Fermi gases with zero-range interactions. The techniques discussed are non-perturbative and involve stochastic methods as well as a semi-classical lattice approximation. Through these algorithms, we have computed the interaction dependence (both attractive and repulsive where applicable) of the virial coefficients to a relatively high order as compared to current literature in one, two, and three spatial dimensions. Through one of said methods, we are able to provide a prediction for the radius of convergence of the virial expansion in one spatial dimension.
We map out the interaction effects on the first six virial coefficients of one-dimensional Fermi gases with zero-range attractive and repulsive interactions and the first four virial coefficients of the two-dimensional analog with attractive interactions. To that end, we use two nonperturbative stochastic methods: projection by complex stochastic quantization, which allows us to determine high-order coefficients at weak coupling and estimate the radius of convergence of the virial expansion, and a path-integral representation of the virial coefficients. To complement our numerical calculations, we present leading-order results in a semiclassical lattice approximation, which we find to be surprisingly close to the expected answers.
The virial expansion characterizes the high-temperature approach to the quantum-classical crossover in any quantum many-body system. Here, we calculate the virial coefficients up to the fifth order of Fermi gases in one, two, and three dimensions, with attractive contact interactions, as relevant for a variety of applications in atomic and nuclear physics. To that end, we discretize the imaginary-time direction and calculate the relevant canonical partition functions. In coarse discretizations, we obtain analytic results featuring relationships between the interaction-induced changes $\mathrm{\ensuremath{\Delta}}{b}_{3}, \mathrm{\ensuremath{\Delta}}{b}_{4}$, and $\mathrm{\ensuremath{\Delta}}{b}_{5}$ as functions of $\mathrm{\ensuremath{\Delta}}{b}_{2}$, the latter being exactly known in many cases by virtue of the Beth-Uhlenbeck formula. Using automated-algebra methods, we push our calculations to progressively finer discretizations and extrapolate to the continuous-time limit. We find excellent agreement for $\mathrm{\ensuremath{\Delta}}{b}_{3}$ with previous calculations in all dimensions and we formulate predictions for $\mathrm{\ensuremath{\Delta}}{b}_{4}$ and $\mathrm{\ensuremath{\Delta}}{b}_{5}$ in one and two dimensions. We also provide, for a range of couplings, the subspace contributions $\mathrm{\ensuremath{\Delta}}{b}_{31}, \mathrm{\ensuremath{\Delta}}{b}_{22}, \mathrm{\ensuremath{\Delta}}{b}_{41}$, and $\mathrm{\ensuremath{\Delta}}{b}_{32}$, which determine the equation of state and static response of polarized systems at high temperature. As a performance check, we compare the density equation of state and Tan contact with quantum Monte Carlo calculations, diagrammatic approaches, and experimental data where available. Finally, we apply Pad\'e and Pad\'e-Borel resummation methods to extend the usefulness of the virial coefficients to approach and in some cases go beyond the unit-fugacity point.
The virial expansion provides a non-perturbative view into the thermodynamics of quantum many-body systems in dilute regimes. While powerful, the expansion is challenging as calculating its coefficients at each order n requires analyzing (if not solving) the quantum n-body problem. In this work, we present a comprehensive review of automated algebra methods, which we developed to calculate high-order virial coefficients. The methods are computational but non-stochastic, thus avoiding statistical effects; they are also for the most part analytic, not numerical, and amenable to massively parallel computer architectures. We show formalism and results for coefficients characterizing the thermodynamics (pressure, density, energy, static susceptibilities) of homogeneous and harmonically trapped systems and explain how to generalize them to other observables such as the momentum distribution, Tan contact, and the structure factor.
The virial expansion provides a non-perturbative view into the thermodynamics of quantum many-body systems in dilute regimes. While powerful, the expansion is challenging as calculating its coefficients at each order n requires analyzing (if not solving) the quantum n-body problem. In this work, we present a comprehensive review of automated algebra methods, which we developed to calculate high-order virial coefficients. The methods are computational but non-stochastic, thus avoiding statistical effects; they are also for the most part analytic, not numerical, and amenable to massively parallel computer architectures. We show formalism and results for coefficients characterizing the thermodynamics (pressure, density, energy, static susceptibilities) of homogeneous and harmonically trapped systems and explain how to generalize them to other observables such as the momentum distribution, Tan contact, and the structure factor.
Recent breakthroughs in the creation of ultracold atomic gases in the laboratory have ushered in major changes in physical science. Many novel experiments are now possible, with an unprecedented control of interaction, geometry and purity. Quantum many-body theory is facing severe challenges in quantitatively understanding new experimental results. Here, we review some recently developed theoretical techniques that provide successful predictions for density response of a strongly correlated atomic Fermi gas. These include the strong-coupling random-phase approximation theory, hightemperature quantum virial expansion, and asymptotically exact Tan relations applicable at large momentum.
We briefly review current research progress in the field of strongly correlated atomic Fermi gases. A deep understanding of strongly correlated quantum gases is plagued by the lack of either exact solutions or a controllable small interaction parameter. In this work, we present a systematic virial expansion method to study the high-temperature thermodynamics of a strongly correlated Fermi gas,where the controllable parameter is given by the fugacity,exp (μkBT),with μ being the chemical potential. A practical way is proposed to obtain the expansion coefficients for both homogeneous and harmonically trapped Fermi gases. We calculate, for the first time accurately, the third-order virial coefficient. The resulting equation of states at high temperatures is compared with a recent thermodynamic measurement and with Monte Carlo simulations.