Complete Equivalence of the Gibbs Ensembles for One-Dimensional Markov Systems

We show the equivalence of the Gibbs ensembles at the level of measures for one-dimensional Markov-Systems with arbitrary boundary conditions. That is, the limit of the microcanonical Gibbs ensemble is a Gibbs measure with an interaction depending on the microcanonical constraint. In fact the usual microcanonical condition is replaced by the sharper constraint that all type frequencies of neighboring spins (including the boundary spins) are fixed. When conditioning on a set of different frequencies of neighboring spins compatible with physical quantities like energy density we get the usual microcanonical ensemble. We show that the limit is a Gibbs measure for a nearest neighbor potential depending on the pair measure which maximizes the entropy on the given set of pair measures. For this we show the large deviation property of the pair empirical measure for arbitrary boundary conditions. We establish analogous results for finite range potentials.     

A metric space of interactions and the thermodynamic limit

A metric space of interactions is formed for classical continuous systems and for quantum and classical lattice systems. It is shown that the thermodynamic limit of the grand canonical pressure exists on an extended class of potentials. In each neighborhood of each superstable lower regular, weakly tempered pair interaction and for each of a countable number of test functions there is an interaction for which the Fisher thermodynamic limit of the correlation functionals applied to the test function exists.     

Uniqueness of one-dimensional continuum Gibbs states

We investigate one-dimensional continuum grandcanonical Gibbs states corresponding to finite range superstable many-body potentials. Absence of phase transitions in the sense of uniqueness of the tempered Gibbs state is proved for potentials without hard-core by first proving uniqueness of the Gibbs measures for related hard-core potentials and then taking an appropriate limit of those Gibbs measures.     

Dobrushin's Uniqueness for Quantum Lattice Systems with Nonlocal Interaction

Based on Dobrushin's fundamental criterion, we prove uniqueness of Euclidean Gibbs states for a certain class of quantum lattice systems with unbounded spins, nonharmonic pair potentials and infinite radius of interaction. The necessary estimates on Dobrushin's coefficients are obtained from the Log-Sobolev inequality which holds for the one-point conditional distributions on the infinite dimensional single spin (= loop) spaces. Received: 25 October 1996 / Accepted: 3 March 1997     

New Exact Ground States for One-Dimensional Quantum Many-Body Systems

We consider one-dimensional quantum many-body systems with pair interactions in external fields and (re)investigate the conditions under which exact ground-state wave functions of product type can be found. Contrary to a claim in the literature that an exhaustive list of such systems is already known, we show that this list can still be enlarged considerably. In particular, we are able to calculate exact ground-state wave functions for a class of quantum many-body systems with Ax ^–2+Bx ² interaction potentials and external potentials given by sixth-order polynomials.     

Metastable and spin-polarized states in electron systems with localized electron–electron interaction

We study the formation of spontaneous spin polarization in inhomogeneous electron systems with pair interaction localized in a small region that is not separated by a barrier from surrounding gas of non-interacting electrons. Such a system is interesting as a minimal model of a quantum point contact in which the electron–electron interaction is strong in a small constriction coupled to electron reservoirs without barriers. Based on the analysis of the grand potential within the self-consistent field approximation, we find that the formation of the polarized state strongly differs from the Bloch or Stoner transition in homogeneous interacting systems. The main difference is that a metastable state appears in the critical point in addition to the globally stable state, so that when the interaction parameter exceeds a critical value, two states coexist. One state has spin polarization and the other is unpolarized. Another feature is that the spin polarization increases continuously with the interaction parameter and has a square-root singularity in the critical point. We study the critical conditions and the grand potentials of the polarized and unpolarized states for one-dimensional and two-dimensional models in the case of extremely small size of the interaction region.     

Dobrushin's compactness criterion for euclidean gibbs measures

We prove existence and uniform á priori estimates for Euclidean Gibbs measures corresponding to certain quantum systems with unbounded spins, pair potentials of superquadratic growth, and infinite radius of interaction. The quantum particles are indexed by the elements of a countable, possibly irregular, set L ⊂ ∝^d. We use Dobrushin's criterion and give a direct construction of appropriate compact functions on (infinite dimensional) loop spaces. For the quantum systems on L := ∝^d, with the superquadratic interactions of finite range, a new uniqueness result is established by means of the Dobrushin-Pechersky criterion.     

Quantum Gibbs Samplers: The Commuting Case

We analyze the problem of preparing quantum Gibbs states of lattice spin Hamiltonians with local and commuting terms on a quantum computer and in nature. Our central result is an equivalence between the behavior of correlations in the Gibbs state and the mixing time of the semigroup which drives the system to thermal equilibrium (the Gibbs sampler). We introduce a framework for analyzing the correlation and mixing properties of quantum Gibbs states and quantum Gibbs samplers, which is rooted in the theory of non-commutative \({\mathbb{L}_p}\) spaces. We consider two distinct classes of Gibbs samplers, one of them being the well-studied Davies generator modelling the dynamics of a system due to weak-coupling with a large Markovian environment. We show that their spectral gap is independent of system size if, and only if, a certain strong form of clustering of correlations holds in the Gibbs state. Therefore every Gibbs state of a commuting Hamiltonian that satisfies clustering of correlations in this strong sense can be prepared efficiently on a quantum computer. As concrete applications of our formalism, we show that for every one-dimensional lattice system, or for systems in lattices of any dimension at temperatures above a certain threshold, the Gibbs samplers of commuting Hamiltonians are always gapped, giving an efficient way of preparing the associated Gibbs states on a quantum computer.     

Thermodynamics of one-dimensional nonlinear lattices

Analytic equations were obtained for the thermodynamic parameters of one-dimensional lattices of particles with the Toda and Morse interaction potentials in a canonical Gibbs ensemble. For the same systems, equations were derived for molecular dynamics simulations of thermodynamic processes. Stochastic differential equations were solved with simulating the thermostat by Langevin sources with random forced. Analytic equations for thermodynamic parameters (energy, temperature, and pressure) excellently coincided with molecular dynamics simulation results. The kinetics of system relaxation to the thermodynamic equilibrium state was analyzed. The advantages of simulating the physical properties of systems in a canonical compared with microcanonical ensemble were demonstrated.     

Gibbs states of a one dimensional quantum lattice

A one dimensional infinite quantum spin lattice with a finite range interaction is studied. The Gibbs state in the infinite volume limit is shown to exist as a primary state of a UHF algebra. The expectation value of any local observables in the state as well as the mean free energy depend analytically on the potential, showing no phase transition. The Gibbs state is an extremal KMS state.On leave from Research Institute for Mathematical Sciences, Kyoto University Kyoto, Japan.     

The diffusion in the quantum Smoluchowski equation

A novel quantum Smoluchowski dynamics in an external, nonlinear potential has been derived recently. In its original form, this overdamped quantum dynamics is not compatible with the second law of thermodynamics if applied to periodic, but asymmetric ratchet potentials. An improved version of the quantum Smoluchowski equation with a modified diffusion function has been put forward in L. Machura et al. (Phys. Rev. E 70 (2004) 031107) and applied to study quantum Brownian motors in overdamped, arbitrarily shaped ratchet potentials. With this work we prove that the proposed diffusion function, which is assumed to depend (in the limit of strong friction) on the second-order derivative of the potential, is uniquely determined from the validity of the second law of thermodynamics in thermal, undriven equilibrium. Put differently, no approximation-induced quantum Maxwell demon is operating in thermal equilibrium. Furthermore, the leading quantum corrections correctly render the dissipative quantum equilibrium state, which distinctly differs from the corresponding Gibbs state that characterizes the weak (vanishing) coupling limit.     

Limit theorem for the distribution of eigenvalues of the operator of energy

We prove the central limit theorem for the distribution of eigenvalues of the energy operator of a continuous quantum mechanical system. We consider one-dimensional and multidimensional systems.     

Uniqueness and clustering properties of Gibbs states for classical and quantum unbounded spin systems

We consider quantum unbounded spin systems (lattice boson systems) in -dimensional lattice space Z. Under appropriate conditions on the interactions we prove that in a region of high temperatures the Gibbs state is unique, is translationally invariant, and has clustering properties. The main methods we use are the Wiener integral representation, the cluster expansions for zero boundary conditions and for general Gibbs state, and explicitly -dependent probability estimates. For one-dimensional systems we show the uniqueness of Gibbs states for any value of temperature by using the method of perturbed states. We also consider classical unbounded spin systems. We derive necessary estimates so that all of the results for the quantum systems hold for the classical systems by straightforward applications of the methods used in the quantum case.     

Study of the one-dimensional periodic polaron structures

One-dimensional and quasi one-dimensional electron structures are of applied interest. For example, in one-dimensional (nano-capillary) electroneutral metal–ammonia systems, exotic electron properties are observed, such as a drastic (by several orders of magnitude) drop of the electrical conductivity with decreasing temperature, which resembles the superconductivity transition. In this work, we studied the possibility of one-dimensional filamentary polaron nano-structure in insulating media. It was established that the interpolaron pair potential for large polarons offers attraction properties. It is known that attraction between the particles may alter the collective properties of a many-particle system. We demonstrated that the initially uniform distribution of the particles becomes unstable in one-dimensional systems and may change to the nonuniform structured state under specific conditions imposed on the temperature, particle concentration, and parameters of the pair interpolaron potential. The possibility of existence of a periodic one-dimensional structure of small-amplitude polarons that is imposed on the polaron uniform distribution is estimated in terms of temperature and concentration criteria. A dispersion relation between existence of the one-dimensional polaron structure and translational velocity of the polarons is found. The upper limit of the translational velocity when the periodic contribution to the distribution vanishes is determined. Periodic contribution disappears virtually stepwise as the velocity approaches its critical value. It is shown that this specific polaron–polaron interaction leads to results that are in principal different from those observed for classical Coulomb electron interaction.     

Classical Representation of a Quantum System at Equilibrium

A quantum system at equilibrium is represented by a corresponding classical system, chosen to reproduce the thermodynamic and structural properties. The objective is to develop a means for exploiting strong coupling classical methods (e.g., MD, integral equations, DFT) to describe quantum systems. The classical system has an effective temperature, local chemical potential, and pair interaction that are defined by requiring equivalence of the grand potential and its functional derivatives with respect to the external and pair potentials for the classical and quantum systems. Practical inversion of this mapping for the classical properties is effected via the hypernetted chain approximation, leading to representations as functionals of the quantum pair correlation function. As an illustration, the parameters of the classical system are determined approximately such that ideal gas and weak coupling RPA limits are preserved (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Universal Nature of Replica Symmetry Breaking in Quantum Systems with Gaussian Disorder

We study quantum spin systems with quenched Gaussian disorder. We prove that the variance of all physical quantities in a certain class vanishes in the infinite volume limit. We study also replica symmetry breaking phenomena, where the variance of an overlap operator in the other class does not vanish in the replica symmetric Gibbs state. On the other hand, it vanishes in a spontaneous replica symmetry breaking Gibbs state defined by applying an infinitesimal replica symmetry breaking field. We prove also that the finite variance of the overlap operator in the replica symmetric Gibbs state implies the existence of a spontaneous replica symmetry breaking.     

Classical simulation of infinite-size quantum lattice systems in one spatial dimension

Invariance under translation is exploited to efficiently simulate one-dimensional quantum lattice systems in the limit of an infinite lattice. Both the computation of the ground state and the simulation of time evolution are considered.     

Thermalization and Canonical Typicality in Translation-Invariant Quantum Lattice Systems

It has previously been suggested that small subsystems of closed quantum systems thermalize under some assumptions; however, this has been rigorously shown so far only for systems with very weak interaction between subsystems. In this work, we give rigorous analytic results on thermalization for translation-invariant quantum lattice systems with finite-range interaction of arbitrary strength, in all cases where there is a unique equilibrium state at the corresponding temperature. We clarify the physical picture by showing that subsystems relax towards the reduction of the global Gibbs state, not the local Gibbs state, if the initial state has close to maximal population entropy and certain non-degeneracy conditions on the spectrumare satisfied.Moreover,we showthat almost all pure states with support on a small energy window are locally thermal in the sense of canonical typicality. We derive our results from a statement on equivalence of ensembles, generalizing earlier results by Lima, and give numerical and analytic finite size bounds, relating the Ising model to the finite de Finetti theorem. Furthermore, we prove that global energy eigenstates are locally close to diagonal in the local energy eigenbasis, which constitutes a part of the eigenstate thermalization hypothesis that is valid regardless of the integrability of the model.     

Thermodynamic limit for the one-dimensional Ising systems with random interaction of finite range

The existence of the thermodynamic limit is proved for the random one-dimensional Ising systems under the assumption that the interaction energies are random variables taking on continuous values and the distribution of the random variables is given by a continuous function. It is assumed that the total number of possible configurations for each lattice site is finite and the range of interaction is finite.