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arXiv:cond-mat/9711213 · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Interaction-driven equilibrium and statistical laws in small systems: The cerium atom

V. V. Flambaum, A. A. Gribakina, G. F. Gribakin, Ilya V. Ponomarev

Published May 1, 1998• 14 citations
arXivHTMLPDF

Abstract

It is shown that statistical mechanics is applicable to isolated quantum systems with finite numbers of particles, such as complex atoms, atomic clusters, or quantum dots in solids, where the residual two-body interaction is sufficiently strong. This interaction mixes the unperturbed shell-model (Hartree-Fock) basis states and produces chaotic many-body eigenstates. As a result, an interaction-induced statistical equilibrium emerges in the system. This equilibrium is due to the off-diagonal matrix elements of the Hamiltonian. We show that it can be described by means of temperature introduced through the canonical-type distribution. However, the interaction between the particles can lead to prominent deviations of the equilibrium distribution of the occupation numbers from the Fermi-Dirac shape. Besides that, the off-diagonal part of the Hamiltonian gives rise to an increase of the effective temperature of the system (statistical effect of the interaction). For example, this takes place in the cerium atom, which has four valence electrons and which is used in our work to compare the theory with realistic numerical calculations.

DOI
10.1103/physreve.57.4933

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It is shown that statistical mechanics is applicable to isolated quantum systems with finite numbers of particles, such as complex atoms, atomic clusters, or quantum dots in solids, where the residual two-body interaction is sufficiently strong. This interaction mixes the unperturbed shell-model (Hartree-Fock) basis states and produces chaotic many-body eigenstates. As a result, an interaction-induced statistical equilibrium emerges in the system. This equilibrium is due to the off-diagonal matrix elements of the Hamiltonian. We show that it can be described by means of temperature introduced through the canonical-type distribution. However, the interaction between the particles can lead to prominent deviations of the equilibrium distribution of the occupation numbers from the Fermi-Dirac shape. Besides that, the off-diagonal part of the Hamiltonian gives rise to an increase of the effective temperature of the system (statistical effect of the interaction). For example, this takes place in the cerium atom, which has four valence electrons and which is used in our work to compare the theory with realistic numerical calculations.
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 introduce a generic approach to study interaction effects in diffusive or chaotic quantum dots in the Coulomb blockade regime. The randomness of the single-particle wave functions induces randomness in the two-body interaction matrix elements. We classify the possible induced two-body ensembles, both in the presence and absence of spin degrees of freedom. The ensembles depend on the underlying space-time symmetries as well as on features of the two-body interaction. Confining ourselves to spinless electrons, we then use the Hartree-Fock (HF) approximation to calculate HF single-particle energies and HF wave functions for many realizations of the ensemble. We study the statistical properties of the resulting one-body HF ensemble for a fixed number of electrons. In particular, we determine the statistics of the interaction matrix elements in the HF basis, of the HF single-particle energies (including the HF gap between the last occupied and the first empty HF level), and of the HF single-particle wave functions. We also study the addition of electrons, and in particular the distribution of the distance between successive conductance peaks and of the conductance peak heights.
I study the statistical description of a small quantum system, which is coupled to a large quantum environment in a generic form and with a generic interaction strength, when the total system lies in an equilibrium state described by a microcanonical ensemble. The focus is on the difference between the reduced density matrix (RDM) of the central system in this interacting case and the RDM obtained in the uncoupled case. In the eigenbasis of the central system's Hamiltonian, it is shown that the difference between diagonal elements is mainly confined by the ratio of the maximum width of the eigenfunctions of the total system in the uncoupled basis to the width of the microcanonical energy shell; meanwhile, the difference between off-diagonal elements is given by the ratio of certain property of the interaction Hamiltonian to the related level spacing of the central system. As an application, a sufficient condition is given, under which the RDM may have a canonical Gibbs form under system-environment interactions that are not necessarily weak; this Gibbs state usually includes certain averaged effect of the interaction. For central systems that interact locally with many-body quantum chaotic systems, it is shown that the RDM usually has a Gibbs form. I also study the RDM which is computed from a typical state of the total system within an energy shell.