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arXiv:nlin/0106036 · Physical Review Letters

Semiquantal Approach to Finite Systems of Interacting Particles

F. Borgonovi, G. L. Celardo, Felix M. Izrailev, Giulio Casati

Published Jan 16, 2002• 10 citations
arXivHTMLPDF

Abstract

A novel approach is suggested for the statistical description of quantum systems of interacting particles. We show that the occupation numbers for single-particle states can be represented as a convolution of a classical analog of the eigenstate, with the quantum occupation number for noninteracting particles. The latter takes into account the wave function symmetry and depends on the unperturbed energy spectrum only. As a result, the distribution of occupation numbers n(s) can be found even for a large number of interacting particles. Using the model of interacting spins, we demonstrate that this approach gives a correct description of n(s) even in deep quantum regions with few single-particle orbitals.

DOI
10.1103/physrevlett.88.054101

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A novel approach is suggested for the statistical description of quantum systems of interacting particles. We show that the occupation numbers for single-particle states can be represented as a convolution of a classical analog of the eigenstate, with the quantum occupation number for noninteracting particles. The latter takes into account the wave function symmetry and depends on the unperturbed energy spectrum only. As a result, the distribution of occupation numbers n(s) can be found even for a large number of interacting particles. Using the model of interacting spins, we demonstrate that this approach gives a correct description of n(s) even in deep quantum regions with few single-particle orbitals.
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.
A theory of strongly interacting Fermi systems of a few particles is developed. At high excitation energies (a few times the single-particle level spacing) these systems are characterized by an extreme degree of complexity due to strong mixing of the shell-model-based many-particle basis states by the residual two-body interaction. This regime can be described as many-body quantum chaos. Practically, it occurs when the excitation energy of the system is greater than a few single-particle level spacings near the Fermi energy. Physical examples of such systems are compound nuclei, heavy open shell atoms (e.g. rare earths) and multicharged ions, molecules, clusters and quantum dots in solids. The main quantity of the theory is the strength function which describes spreading of the eigenstates over many-particle basis states (determinants) constructed using the shell-model orbital basis. A nonlinear equation for the strength function is derived, which enables one to describe the eigenstates without diagonalization of the Hamiltonian matrix. We show how to use this approach to calculate mean orbital occupation numbers and matrix elements between chaotic eigenstates and introduce typically statistical variables such as temperature in an isolated microscopic Fermi system of a few particles.
A theory of strongly interacting Fermi systems of a few particles is developed.At high excitation energies (a few times the single-particle level spacing) these systems are characterized by an extreme degree of complexity due to strong mixing of the shell-model-based many-particle basis states by the residual twobody interaction.This regime can be described as many-body quantum chaos.Practically, it occurs when the excitation energy of the system is greater than a few single-particle level spacings near the Fermi energy.Physical examples of such systems are compound nuclei, heavy open shell atoms (e.g.rare earths) and multicharged ions, molecules, clusters and quantum dots in solids.The main quantity of the theory is the strength function which describes spreading of the eigenstates over many-particle basis states (determinants) constructed using the shell-model orbital basis.A nonlinear equation for the strength function is derived, which enables one to describe the eigenstates without diagonalization of the Hamiltonian matrix.We show how to use this approach to calculate mean orbital occupation numbers and matrix elements between chaotic eigenstates and introduce typically statistical variables such as temperature in an isolated microscopic Fermi system of a few particles.
In this review the problem of statistical description of isolated quantum systems of interacting particles is discussed. Main attention is paid to a recently developed approach which is based on chaotic properties of compound states in the basis of non-interacting particles. In order to demonstrate the most important aspects of this approach, the matrix model of two-body random interaction between Fermi-particles has been used. Different problems have been considered such as the onset of chaos and statistical equilibrium, the relation between the structure of eigenstates and distribution of occupation numbers, the emergence of the Fermi-Dirac distribution in isolated systems of finite number of particles and many others. The application of the approach to dynamical systems with the classical limit is discussed as well.
We develop an energy density matrix that parallels the one-body reduced density matrix (1RDM) for many-body quantum systems. Just as the density matrix gives access to the number density and occupation numbers, the energy density matrix yields the energy density and orbital occupation energies. The eigenvectors of the matrix provide a natural orbital partitioning of the energy density while the eigenvalues comprise a single-particle energy spectrum obeying a total energy sum rule. For mean-field systems the energy density matrix recovers the exact spectrum. When correlation becomes important, the occupation energies resemble quasiparticle energies in some respects. We explore the occupation energy spectrum for the finite 3D homogeneous electron gas in the metallic regime and an isolated oxygen atom with ground-state quantum Monte Carlo techniques implemented in the qmcpack simulation code. The occupation energy spectrum for the homogeneous electron gas can be described by an effective mass below the Fermi level. Above the Fermi level evanescent behavior in the occupation energies is observed in similar fashion to the occupation numbers of the 1RDM. A direct comparison with total energy differences shows a quantitative connection between the occupation energies and electron addition and removal energies for the electron gas. For the oxygen atom, the association between the ground-state occupation energies and particle addition and removal energies becomes only qualitative. The energy density matrix provides an avenue for describing energetics with quantum Monte Carlo methods which have traditionally been limited to total energies.
This work describes the statistics for the occupation numbers of quantum levels in a large isolated quantum system, where all possible superpositions of eigenstates are allowed provided all these superpositions have the same fixed energy. Such a condition is not equivalent to the conventional microcanonical condition because the latter limits the participating eigenstates to a very narrow energy window. The statistics is obtained analytically for both the entire system and its small subsystem. In a significant departure from the Boltzmann-Gibbs statistics, the average occupation numbers of quantum states exhibit in the present case weak algebraic dependence on energy. In the macroscopic limit, this dependence is routinely accompanied by the condensation into the lowest-energy quantum state. This work contains initial numerical tests of the above statistics for finite systems and also reports the following numerical finding: when the basis states of large but finite random matrix Hamiltonians are expanded in terms of eigenstates, the participation of eigenstates in such an expansion obeys the newly obtained statistics. The above statistics might be observable in small quantum systems, but for the macroscopic systems, it rather re-enforces doubts about self-sufficiency of nonrelativistic quantum mechanics for justifying the Boltzmann-Gibbs equilibrium.