Dissipative time evolution of observables in non-equilibrium statistical quantum systems

We discuss differential– versus integral–equation based methods describing out–of thermal equilibrium systems and emphasize the importance of a well defined reduction to statistical observables. Applying the projection operator approach, we investigate on the time evolution of expectation values of linear and quadratic polynomials in position and momentum for a statistical anharmonic oscillator with quartic potential. Based on the exact integro-differential equations of motion, we study the first and naive second order approximation which breaks down at secular time-scales. A method is proposed to improve the expansion by a non–perturbative resummation of all quadratic operator correlators consistent with energy conservation for all times. Motion cannot be described by an effective Hamiltonian local in time reflecting non-unitarity of the dissipative entropy generating evolution. We numerically integrate the consistently improved equations of motion for large times. We relate entropy to the uncertainty product, both being expressible in terms of the observables under consideration. Received: 21 July 1998 / Revised version: 28 September 1998 / Published online: 2 November 1998     

Lamé函数和非线性演化方程的扰动方法

利用小扰动方法对非线性演化方程作展开得到原始方程的各级近似方程.应用Jacobi椭圆函数展开法求得了零级近似方程的准确解,并由此得到一级近似方程和二级近似方程分别满足齐次Lamé方程和非齐次Lamé方程,应用Lamé函数和Jacobi椭圆函数展开法可以分别求得一级近似方程和二级近似方程的准确解.这样,就求得了非线性演化方程的多级准确解.     

Lattice response of quantum solids to an impulsive local perturbation

The lattice response of solid para-H2 to an impulsive electronic excitation was studied using femtosecond pump-probe spectroscopy. The evolution of an electronic bubble in the crystal, created upon excitation of the A(3ssigma) Rydberg state of an NO impurity, was followed in real time, with a resolution of 100 fs. The experimental results, interpreted in connection with molecular dynamics simulations with quantum corrections, indicate the presence of three stages in the dynamics: a sub-100 fs "adiabatic" phase, a 0.5-1 ps phase, corresponding to the interaction of the first with the next shells driven by the bubble expansion, and a 5 ps phase, corresponding to a slow rearrangement of the environment surrounding the impurity. These findings indicate that the lattice response in solid para-H2 resembles that of a liquid.     

Nonequilibrium statistical mechanics of mixed quantum classical ensembles: application to noncontact atomic force microscopy

Using the nonequilibrium statistical operator method, we suggest a new general method of treating dynamics of a combined system consisting of interacting classical and quantum parts. The method is illustrated on the tip dynamics in the noncontact atomic force microscopy (NC-AFM) where a macroscopic tip interacts with a quantum microscopic system (the surface and the nanotip). The derived general equation of motion for the tip and the Fokker-Planck equation, applicable even at low temperatures, contain memory effects and a friction term which should (at least partially) be responsible for the observed energy dissipation in NC-AFM experiments.     

Dynamical thermostatting and statistical ensembles

Dynamical thermostatting constitutes a procedure for computing thermodynamical mean values of classical dynamical systems that is of interest both from the practical and from the conceptual points of view. Here we extend and unify previous partial results, showing that the dynamical thermostatting approach can be implemented in order to simulate a wide family of statistical ensembles of general dynamical systems with a vanishing divergence and admitting an integral of motion. As a particular illustration, the thermostatting procedure is applied to power law-like maximum entropy ensembles.     

Landauer's principle and non-equilibrium statistical ensembles

Landauer's principle is fundamental for the physics of information. It establishes the least amount of energy that needs to be dissipated in order to erase a bit of information. Using the Beck-Cohen representation of statistical ensemble distributions, we explore an extension of Landauer's principle to systems out of equilibrium.     

A new approach for the justification of ensembles in quantum statistical mechanics — II

The results of the first paper in this series are generalized to include spin, permutation symmetry, and time dependence. In particular, the question of time invariance of localness in the Heisenberg picture is discussed and it is conjectured that an operator that is initially local will remain local over time. In order to treat macroscopic systems, it is shown that the ensemble decomposition of the previous paper can be used to coarsegrain configuration space. Finally, a physical interpretation of the ensemble decomposition in terms of redundant macroscopic information is used to give a derivation of the generalized microcanonical average.This work was supported in part by research grants from the National Science Foundation and the U.S. Public Health Service. Some of the material in this paper is contained in a doctoral dissertation submitted by the author to the University of Oregon (1969).     

A new approach for the justification of ensembles in quantum statistical mechanics — I

In this and the following paper, a new approach for the justification of ensembles in statistical mechanics is given. The essential physical idea is that a measurement is an average of values arising from disjoint regions in three-space. This idea is given a mathematical basis in terms of a class of operators called local operators, and the first paper is devoted primarily to the development of the properties of local operators. In particular, a complete characterization of the bounded local operators on ₂ spaces of finite measure is given. Two results of importance for statistical mechanics are also derived. First, it is shown that the observables of quantum mechanics are local operators. Second, it is shown that the expectation value of an observable for a pure state can be written formally as an ensemble average. In the following paper, these results are used to develop a new approach for the justification of statistical ensembles.This work was supported in part by research grants from the National Science Foundation and the U.S. Public Health Service. The material of this paper is contained in a doctoral dissertation submitted by the author to the University of Oregon (1969).     

Dissipative quantum dynamics in a multiwell system

We investigate the dynamics of a quantum particle moving in a tight-binding lattice and coupled to a heat bath environment. Using the Feynman-Vernon influence functional method, we obtain an exact series representation in powers of the tunneling matrix for the generating functional of moments of the probability distribution which is valid for arbitrary temperatures and linear dissipation. We prove that the Einstein relation between the linear mobility and the diffusion coefficient holds to any order of the expansion for Ohmic, and for a restricted region of super-Ohmic dissipation. We also compute in the Ohmic case the mobility in certain regions of the parameter space. In particular, we find that the low temperature correction to the zero temperature mobility behaves asT ², and we also determine the prefactor. Finally, the exact solution of the dynamics for any times, temperatures and bias is presented for a particular value of the damping strength in the case of strict Ohmic dissipation.     

Self-similarity degree of deformed statistical ensembles

We consider self-similar statistical ensembles with the phase space whose volume is invariant under the deformation that squeezes (expands) the coordinate and expands (squeezes) the momentum. The related probability distribution function is shown to possess a discrete symmetry with respect to manifold action of the Jackson derivative to be a homogeneous function with a self-similarity degree q fixed by the condition of invariance under (n+1)-fold action of the related dilatation operator. In slightly deformed phase space, we find the homogeneous function is defined with the linear dependence at n=0, whereas the self-similarity degree equals the gold mean at n=1, and q→n in the limit n→∞. Dilatation of the homogeneous function is shown to decrease the self-similarity degree q at n>0.     

Temperature dependent nonlinear response of quantum cascade structures

Current response and gain spectrum of a terahertz quantum cascade laser is analyzed at different temperatures by a nonequilibrium Green’s functions approach. The simulations are compared to recent results of time domain spectroscopy. Being able to retrieve higher harmonics of the response function, nonlinear phenomena in quantum cascade lasers are studied theoretically. For different temperatures, gain is simulated under operating conditions and related to the intensity inside the cavity, showing the degradation of performance with temperature. Resolving the electron densities in energy shows the breakdown of inversion at high intensities.     

Dissipative dynamics of a quantum two-state system in presenceof nonequilibrium quantum noise

We analyze the real-time dynamics of a quantum two-state system in the presence ofnonequilibrium quantum fluctuations. The latter are generated by a coupling of thetwo-state system to a single electronic level of a quantum dot which carries anonequilibrium tunneling current. We restrict to the sequential tunneling regime andcalculate the dynamics of the two-state system, of the dot population, and of thenonequilibrium charge current on the basis of a diagrammatic perturbative method valid fora weak tunneling coupling. We find a nontrivial dependence of the relaxation and dephasingrates of the two-state system due to the nonequilibrium fluctuations which is directlylinked to the structure of the unperturbed central system. In addition, aHeisenberg-Langevin-equation of motion allows us to calculate the correlation function ofthe nonequilibrium fluctuations. By this, we obtain a generalized nonequilibriumfluctuation relation which includes the equilibrium fluctuation-dissipation theorem in thelimit of zero transport voltage. A straightforward extension to the case with atime-periodic ac voltage is shown.     

Partial equivalence of statistical ensembles and kinetic energy

The phenomenon of partial equivalence of statistical ensembles is illustrated by discussing two examples, the mean-field XY and the mean-field spherical model. The configurational parts of these systems exhibit partial equivalence of the microcanonical and the canonical ensemble. Furthermore, the configurational microcanonical entropy is a smooth function, whereas a nonanalytic point of the configurational free energy indicates the presence of a phase transition in the canonical ensemble. In the presence of a standard kinetic energy contribution, partial equivalence is removed and a nonanalyticity arises also microcanonically. Hence in contrast to the common belief, kinetic energy, even though a quadratic form in the momenta, has a nontrivial effect on the thermodynamic behaviour. As a by-product we present the microcanonical solution of the mean-field spherical model with kinetic energy for finite and infinite system sizes.     

Deterministic quantum evolution through modification of the hypotheses of statistical mechanics

It is claimed that for all apparatus capable of performing macroscopic measurements of microscopic systems there exist special internal states for which deterministic quantum evolution alone yields a particular macroscopic outcome rather than a superposition of macroscopically distinct outcomes. We maintain that these special states are distributed uniformly (in a certain sense) among the set of all states. It is hypothesized that for all actually performed experiments the initial conditions lie among the special states. We postulate that in the absence of precise information on apparatus initial conditions one should give equal weight to those microstates that are consistent with the macroscopic stateand are special in the sense used above. Evidence is presented for this postulate's recovering the usual quantum probabilities. This theory is fully deterministic, has no collapsing wave functions, and offers a resolution of the quantum measurement problem through a revision of the usual statistical mechanical handling of initial conditions. It requires a single wave function for the entire universe and an all encompassing conspiracy to arrange the right sort of special wave function for each experiment. In other words, an apparatus is in an appropriate microstate for the experiment that will actually happen even if an ostensibly random process is used to determine that experiment from among apparent alternatives. Although we do not provide physical or philosophical justification for our central hypothesis, some perspective is given by examining the notions implicit in the usual principles of thermodynamics.     

Dissipative death of quantum coherences in a spin system

We investigate the influence of weak dissipation on the dynamics of a kicked spin system. Compared to its classical limit the quantum system is strongly affected by small dissipation. We present the attenuation of two different intrinsically quantum phenomena, recurrencies and tunneling. We find agreement of analytical perturbative estimates and numerical results. We further show that dissipation acts quite differently on the quantum evolution depending on whether we are in a classically chaotic or regular domain.