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arXiv:1003.1393 · The Annals of Probability

A variational formula for the free energy of an interacting many-particle system

Stefan Adams, Andrea Collevecchio, Wolfgang König

Published Feb 25, 2011• 23 citations
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Abstract

We consider N bosons in a box in ℝd with volume N / ρ under the influence of a mutually repellent pair potential. The particle density ρ ∈ (0, ∞) is kept fixed. Our main result is the identification of the limiting free energy, f(β, ρ), at positive temperature 1 / β, in terms of an explicit variational formula, for any fixed ρ if β is sufficiently small, and for any fixed β if ρ is sufficiently small. The thermodynamic equilibrium is described by the symmetrized trace of $e^{-\beta {\mathcal{H}}_{N}}$, where ${\mathcal{H}}_{N}$ denotes the corresponding Hamilton operator. The well-known Feynman–Kac formula reformulates this trace in terms of N interacting Brownian bridges. Due to the symmetrization, the bridges are organized in an ensemble of cycles of various lengths. The novelty of our approach is a description in terms of a marked Poisson point process whose marks are the cycles. This allows for an asymptotic analysis of the system via a large-deviations analysis of the stationary empirical field. The resulting variational formula ranges over random shift-invariant marked point fields and optimizes the sum of the interaction and the relative entropy with respect to the reference process. In our proof of the lower bound for the free energy, we drop all interaction involving “infinitely long” cycles, and their possible presence is signalled by a loss of mass of the “finitely long” cycles in the variational formula. In the proof of the upper bound, we only keep the mass on the “finitely long” cycles. We expect that the precise relationship between these two bounds lies at the heart of Bose–Einstein condensation and intend to analyze it further in future.

DOI
10.1214/10-aop565

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We consider N bosons in a box in ℝd with volume N / ρ under the influence of a mutually repellent pair potential. The particle density ρ ∈ (0, ∞) is kept fixed. Our main result is the identification of the limiting free energy, f(β, ρ), at positive temperature 1 / β, in terms of an explicit variational formula, for any fixed ρ if β is sufficiently small, and for any fixed β if ρ is sufficiently small. The thermodynamic equilibrium is described by the symmetrized trace of e−βHNe^{-\beta {\mathcal{H}}_{N}}e−βHN​, where HN{\mathcal{H}}_{N}HN​ denotes the corresponding Hamilton operator. The well-known Feynman–Kac formula reformulates this trace in terms of N interacting Brownian bridges. Due to the symmetrization, the bridges are organized in an ensemble of cycles of various lengths. The novelty of our approach is a description in terms of a marked Poisson point process whose marks are the cycles. This allows for an asymptotic analysis of the system via a large-deviations analysis of the stationary empirical field. The resulting variational formula ranges over random shift-invariant marked point fields and optimizes the sum of the interaction and the relative entropy with respect to the reference process. In our proof of the lower bound for the free energy, we drop all interaction involving “infinitely long” cycles, and their possible presence is signalled by a loss of mass of the “finitely long” cycles in the variational formula. In the proof of the upper bound, we only keep the mass on the “finitely long” cycles. We expect that the precise relationship between these two bounds lies at the heart of Bose–Einstein condensation and intend to analyze it further in future.
We consider a model of ddd-dimensional interacting quantum Bose gas, expressed in terms of an ensemble of interacting Brownian bridges in a large box and undergoing the influence of all the interactions between the legs of each of the Brownian bridges. We study the thermodynamic limit of the system and give an explicit formula for the limiting free energy and a necessary and sufficient criterion for the occurrence of a condensation phase transition. For d≥5d\geq 5d≥5 and sufficiently small interaction, we prove that the condensate phase is not empty. The ideas of proof rely on the similarity of the interaction to that of the self-repellent random walk, and build on a lace expansion method conducive to treating {\it paths} undergoing mutual repellence within each bridge.
We study the interacting homogeneous Bose gas in two spatial dimensions in the thermodynamic limit at fixed density. We shall be concerned with some mathematical aspects of this complicated problem in many-body quantum mechanics. More specifically, we consider the dilute limit where the scattering length of the interaction potential, which is a measure for the effective range of the potential, is small compared to the average distance between the particles. We are interested in a setting with positive (i.e., non-zero) temperature. After giving a survey of the relevant literature in the field, we provide some facts and examples to set expectations for the two-dimensional system. The crucial difference to the three-dimensional system is that there is no Bose–Einstein condensate at positive temperature due to the Hohenberg–Mermin–Wagner theorem. However, it turns out that an asymptotic formula for the free energy holds similarly to the three-dimensional case. We motivate this formula by considering a toy model with δ interaction potential. By restricting this model Hamiltonian to certain trial states with a quasi-condensate we obtain an upper bound for the free energy that still has the quasi-condensate fraction as a free parameter. When minimizing over the quasi-condensate fraction, we obtain the Berezinskii–Kosterlitz–Thouless critical temperature for superfluidity, which plays an important role in our rigorous contribution. The mathematically rigorous result that we prove concerns the specific free energy in the dilute limit. We give upper and lower bounds on the free energy in terms of the free energy of the non-interacting system and a correction term coming from the interaction. Both bounds match and thus we obtain the leading term of an asymptotic approximation in the dilute limit, provided the thermal wavelength of the particles is of the same order (or larger) than the average distance between the particles. The remarkable feature of this result is its generality: the correction term depends on the interaction potential only through its scattering length and it holds for all nonnegative interaction potentials with finite scattering length that are measurable. In particular, this allows to model an interaction of hard disks.
We study the interacting homogeneous Bose gas in two spatial dimensions in the thermodynamic limit at fixed density. We shall be concerned with some mathematical aspects of this complicated problem in many-body quantum mechanics. More specifically, we consider the dilute limit where the scattering length of the interaction potential, which is a measure for the effective range of the potential, is small compared to the average distance between the particles. We are interested in a setting with positive (i.e., non-zero) temperature. After giving a survey of the relevant literature in the field, we provide some facts and examples to set expectations for the two-dimensional system. The crucial difference to the three-dimensional system is that there is no Bose–Einstein condensate at positive temperature due to the Hohenberg–Mermin–Wagner theorem. However, it turns out that an asymptotic formula for the free energy holds similarly to the three-dimensional case. We motivate this formula by considering a toy model with δ interaction potential. By restricting this model Hamiltonian to certain trial states with a quasi-condensate we obtain an upper bound for the free energy that still has the quasi-condensate fraction as a free parameter. When minimizing over the quasi-condensate fraction, we obtain the Berezinskii–Kosterlitz–Thouless critical temperature for superfluidity, which plays an important role in our rigorous contribution. The mathematically rigorous result that we prove concerns the specific free energy in the dilute limit. We give upper and lower bounds on the free energy in terms of the free energy of the non-interacting system and a correction term coming from the interaction. Both bounds match and thus we obtain the leading term of an asymptotic approximation in the dilute limit, provided the thermal wavelength of the particles is of the same order (or larger) than the average distance between the particles. The remarkable feature of this result is its generality: the correction term depends on the interaction potential only through its scattering length and it holds for all nonnegative interaction potentials with finite scattering length that are measurable. In particular, this allows to model an interaction of hard disks.
This paper studies probabilistic mean-field models for interacting bosons at a positive temperature in the thermodynamic limit with random particle density. In particular, we prove large deviation principles for empirical cycle counts in all our models, and as such generalise recent work in \cite{ACK} where upper and lower large deviation bounds do not match. Namely, on the one hand we generalise to the so-called grand canonical ensemble, and on the other hand, we consider classes of interaction potentials depending on the cycle counts which are not restricted to be positive. Our large deviation results provide representation formulae for the thermodynamic limit of the pressure which in turn leads to proving Bose-Einstein-condensation (BEC) in all our models. A primary focus and novelty is the pressure representation via extended large deviation analysis for the so-called hard-sphere, or HYL-model (Huang-Yang-Luttinger) studied in \cite{Lew86}. This model has negative counter terms in the Hamiltonian and shows BEC depending on the coupling constants.
For a non-interacting many particle Bose system whose energy operator is diagonal in the number of occupation operators [Formula: see text] upper bounds on the thermal averages [Formula: see text] are obtained. These bounds lead to the proof of Bose–Einstein condensation for finite values of the inverse temperature β and for chemical potential μ=0. Finally for μ<0, in the case of a generalization of the studied model system, the property of Local Gaussian Domination for the grand canonical partition function is proved.
A lower bound is derived on the free energy (per unit volume) of a homogeneous Bose gas at density and temperature T. In the dilute regime, i.e., when a 3 ≪ 1, where a denotes the scattering length of the pair-interaction potential, our bound differs to leading order from the expression for non-interacting particles by the term 4πa(2 2 −[−c] 2 +). Here, c(T) denotes the critical density for Bose-Einstein condensation (for the non-interacting gas), and [ ·]+ = max { · , 0} denotes the positive part. Our bound is uniform in the temperature up to temperatures of the order of the critical temperature, i.e., T ∼ 2/3 or smaller. One of the key ingredients in the proof is the use of coherent states to extend the method introduced in [17] for estimating correlations to temperatures below the critical one. 1 Introduction and Main Result The advance of experimental techniques for studying ultra-cold atomic gases