Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Journal of Physics A Mathematical and General

Statistical mean-field theory of finite quantum systems: canonical ensemble formulation

Sergey A. Ponomarenko, Manolo E. Sherrill, David P. Kilcrease, George Csanak

Published Jul 12, 2006• 2 citations
Publisher

Abstract

We develop a statistical mean-field theory of finite quantum systems in thermal equilibrium. Our formulation employs the canonical ensemble of statistical mechanics, and it enables us to analytically determine the occupation number distributions of interacting particles obeying Bose–Einstein or Fermi–Dirac statistics. We have also developed a numerical procedure that enables us to obtain a universal scaled occupation number distribution that, for a given total number of interacting particles in a finite system, makes it possible to determine the occupation number distribution for any temperature. The developed mean-field theory is applicable to a wide range of atomic, nuclear and condensed matter systems for which finite-size effects can play an important role. In particular, the present approach makes it possible to formulate a finite temperature mean-field theory for a specific ion in a dense plasma.

DOI
10.1088/0305-4470/39/30/l03

Related papers

On quantum statistics for ensembles with a finite number of particles

Evgenii Dmitrievich Trifonov

The well-known Bose–Einstein and Fermi–Dirac quantum distributions can be considered as stationary solutions of kinetic equations for the mean occupation numbers in an ideal gas of an arbitrary finite number of identical particles.

Physics-Uspekhi•Jul 31, 2011•5 citations

Stochastic field equation for the canonical ensemble of an ideal Bose gas

Sigmund Heller, Walter T. Strunz

We present a novel norm preserving stochastic evolution equation for a Bose field at finite temperature. Ensemble averages are quantum expectation values in the canonical ensemble. This numerically very stable equation suppresses high-energy fluctuations exponentially, which prevent cutoff problems from occurring. We present 3D simulations for an ideal gas in various trapping potentials and focus on ground-state occupation numbers and spatial correlation functions for a wide range of temperatures above and below the critical temperature. Although rigorously valid for non-interacting bosons only, we argue that weakly interacting Bose gases may also be amenable to this approach, in the usual mean-field approximation.

Journal of Physics B Atomic Molecular and Optical Physics•Mar 30, 2009•8 citations

Can We Apply Statistical Laws to Small Systems? the Cerium Atom

V. V. Flambaum, A. A. Gribakina, G. F. Gribakin +1 more

It is shown that statistical mechanics is applicable to quantum systems with finite numbers of particles, such as complex atoms, atomic clusters, etc., where the residual two-body interaction is sufficiently strong. This interaction mixes the unperturbed shell-model basis states and produces ``chaotic'' many-body eigenstates. As a result, an interaction-induced equilibrium emerges in the system, and temperature can be introduced. However, the interaction between the particles and their finite number can lead to prominent deviations of the equilibrium occupation numbers distribution from the Fermi-Dirac shape. For example, this takes place in the cerium atom with four valence electrons, which was used to compare the theory with realistic numerical calculations.

arXiv:cond-mat/9710172•Oct 17, 1997•0 citations

An exact stochastic field method for the interacting Bose gas at thermal equilibrium

Iacopo Carusotto, Yvan Castin

We present a new exact method to numerically compute the thermodynamical properties of an interacting Bose gas in the canonical ensemble. As in our previous paper (Carusotto I, Castin Y and Dalibard J 2001 Phys. Rev. A 63 023606), we write the density operator ρ as an average of Hartree dyadics | N :ϕ 1 ⟩⟨ N :ϕ 2 | and we find stochastic evolution equations for the wavefunctions ϕ 1,2 such that the exact imaginary-time evolution of ρ is recovered after averaging over noise. In this way, the thermal equilibrium density operator can be obtained for any temperature T . The method is then applied to study the thermodynamical properties of a homogeneous one-dimensional N -boson system: although Bose-Einstein condensation cannot occur in the thermodynamical limit, a macroscopic occupation of the lowest mode of a finite system is observed at sufficiently low temperatures. If k B T >>µ, the main effect of interactions is to suppress density fluctuations and to reduce their correlation length. Different effects such as a spatial antibunching of the atoms are predicted for the opposite k B T ⩽µ regime. Our exact stochastic calculations have been compared with existing approximate theories.

arXiv:cond-mat/0108042•Journal of Physics B Atomic Molecular and Optical Physics•Nov 23, 2001•37 citations

Thermal pure quantum states of many-particle systems

Masahiko Hyuga, Sho Sugiura, Kazumitsu Sakai +1 more

We generalize the thermal pure quantum (TPQ) formulation of statistical mechanics, in such a way that it is applicable to systems whose Hilbert space is infinite dimensional. Assuming particle systems, we construct the grand-canonical TPQ (gTPQ) state, which is the counterpart of the grand-canonical Gibbs state of the ensemble formulation. A single realization of the gTPQ state gives all quantities of statistical-mechanical interest, with exponentially small probability of error. This formulation not only sheds new light on quantum statistical mechanics but also is useful for practical computations. As an illustration, we apply it to the Hubbard model, on a one-dimensional (1D) chain and on a two-dimensional (2D) triangular lattice. For the 1D chain, our results agree well with the exact solutions over wide ranges of temperature, chemical potential, and the on-site interaction. For the 2D triangular lattice, for which exact results are unknown, we obtain reliable results over a wide range of temperature. We also find that finite-size effects are much smaller in the gTPQ state than in the canonical TPQ state. This also shows that in the ensemble formulation the grand-canonical Gibbs state of a finite-size system simulates an infinite system much better than the canonical Gibbs state.

arXiv:1405.3755•Physical Review B•Sep 29, 2014•30 citations

Probability Distributions and Particle Number Fluctuations of Trapped Bose-Einstein Condensates in Different Dimensions

Hongwei Xiong, Shujuan Liu, Guoxiang Huang +2 more

The analytical probability distribution of finite systems obeying Bose-Einstein statistics in one, two, and three dimensions are investigated by using a canonical ensemble approach. Starting from the canonical partition function of the system, a unified approach is provided to study the probability distribution of a condensate for various confinements and in different dimensions. Based on the probability distribution function, it is straightforward to obtain the mean ground state occupation number and particle number fluctuations of the condensate. It is found that the particle number fluctuations in a trapped Bose gas are strongly dependent on the type of confining potential and on the dimensionality of the system.

arXiv:cond-mat/0111186•Nov 10, 2001•0 citations
We develop a statistical mean-field theory of finite quantum systems in thermal equilibrium. Our formulation employs the canonical ensemble of statistical mechanics, and it enables us to analytically determine the occupation number distributions of interacting particles obeying Bose–Einstein or Fermi–Dirac statistics. We have also developed a numerical procedure that enables us to obtain a universal scaled occupation number distribution that, for a given total number of interacting particles in a finite system, makes it possible to determine the occupation number distribution for any temperature. The developed mean-field theory is applicable to a wide range of atomic, nuclear and condensed matter systems for which finite-size effects can play an important role. In particular, the present approach makes it possible to formulate a finite temperature mean-field theory for a specific ion in a dense plasma.
We present a novel norm preserving stochastic evolution equation for a Bose field at finite temperature. Ensemble averages are quantum expectation values in the canonical ensemble. This numerically very stable equation suppresses high-energy fluctuations exponentially, which prevent cutoff problems from occurring. We present 3D simulations for an ideal gas in various trapping potentials and focus on ground-state occupation numbers and spatial correlation functions for a wide range of temperatures above and below the critical temperature. Although rigorously valid for non-interacting bosons only, we argue that weakly interacting Bose gases may also be amenable to this approach, in the usual mean-field approximation.
It is shown that statistical mechanics is applicable to quantum systems with finite numbers of particles, such as complex atoms, atomic clusters, etc., where the residual two-body interaction is sufficiently strong. This interaction mixes the unperturbed shell-model basis states and produces ``chaotic'' many-body eigenstates. As a result, an interaction-induced equilibrium emerges in the system, and temperature can be introduced. However, the interaction between the particles and their finite number can lead to prominent deviations of the equilibrium occupation numbers distribution from the Fermi-Dirac shape. For example, this takes place in the cerium atom with four valence electrons, which was used to compare the theory with realistic numerical calculations.
We present a new exact method to numerically compute the thermodynamical properties of an interacting Bose gas in the canonical ensemble. As in our previous paper (Carusotto I, Castin Y and Dalibard J 2001 Phys. Rev. A 63 023606), we write the density operator ρ as an average of Hartree dyadics | N :ϕ 1 ⟩⟨ N :ϕ 2 | and we find stochastic evolution equations for the wavefunctions ϕ 1,2 such that the exact imaginary-time evolution of ρ is recovered after averaging over noise. In this way, the thermal equilibrium density operator can be obtained for any temperature T . The method is then applied to study the thermodynamical properties of a homogeneous one-dimensional N -boson system: although Bose-Einstein condensation cannot occur in the thermodynamical limit, a macroscopic occupation of the lowest mode of a finite system is observed at sufficiently low temperatures. If k B T >>µ, the main effect of interactions is to suppress density fluctuations and to reduce their correlation length. Different effects such as a spatial antibunching of the atoms are predicted for the opposite k B T ⩽µ regime. Our exact stochastic calculations have been compared with existing approximate theories.
We generalize the thermal pure quantum (TPQ) formulation of statistical mechanics, in such a way that it is applicable to systems whose Hilbert space is infinite dimensional. Assuming particle systems, we construct the grand-canonical TPQ (gTPQ) state, which is the counterpart of the grand-canonical Gibbs state of the ensemble formulation. A single realization of the gTPQ state gives all quantities of statistical-mechanical interest, with exponentially small probability of error. This formulation not only sheds new light on quantum statistical mechanics but also is useful for practical computations. As an illustration, we apply it to the Hubbard model, on a one-dimensional (1D) chain and on a two-dimensional (2D) triangular lattice. For the 1D chain, our results agree well with the exact solutions over wide ranges of temperature, chemical potential, and the on-site interaction. For the 2D triangular lattice, for which exact results are unknown, we obtain reliable results over a wide range of temperature. We also find that finite-size effects are much smaller in the gTPQ state than in the canonical TPQ state. This also shows that in the ensemble formulation the grand-canonical Gibbs state of a finite-size system simulates an infinite system much better than the canonical Gibbs state.
The analytical probability distribution of finite systems obeying Bose-Einstein statistics in one, two, and three dimensions are investigated by using a canonical ensemble approach. Starting from the canonical partition function of the system, a unified approach is provided to study the probability distribution of a condensate for various confinements and in different dimensions. Based on the probability distribution function, it is straightforward to obtain the mean ground state occupation number and particle number fluctuations of the condensate. It is found that the particle number fluctuations in a trapped Bose gas are strongly dependent on the type of confining potential and on the dimensionality of the system.