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arXiv:1406.5270

Quantum Statistical Mechanics. IV. Non-Equilibrium Probability Operator and Stochastic, Dissipative Schrodinger Equation

Phil Attard

Published Jun 20, 2014• 0 citations
arXivHTMLPDF

Abstract

The probability operator for a generic non-equilibrium quantum system is derived. The corresponding stochastic, dissipative Schrödinger equation is also given. The dissipative and stochastic propagators are linked by the fluctuation-dissipation theorem that is derived from the unitary condition on the time propagator. The dissipative propagator is derived from thermodynamic force and entropy fluctuation operators that are in general non-linear.

DOI
10.48550/arxiv.1406.5270

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The probability operator for a generic non-equilibrium quantum system is derived. The corresponding stochastic, dissipative Schrödinger equation is also given. The dissipative and stochastic propagators are linked by the fluctuation-dissipation theorem that is derived from the unitary condition on the time propagator. The dissipative propagator is derived from thermodynamic force and entropy fluctuation operators that are in general non-linear.
The overview of the principles of quantum statistical mechanics are given, emphasizing the fundamental differences with respect to classical statistical mechanics, as well as the analogies prevailing for the formulation of the properties. A functional time-reversal symmetry relation is presented, allowing the deduction of response theory. The Kubo formula is obtained for the linear response properties and the fluctuation–dissipation theorem is established. For weakly coupled systems, the quantum master equation and the corresponding stochastic Schrödinger equation are deduced. The slippage of initial conditions is discussed in relation to the positivity of the reduced statistical operator. The results are illustrated with the spin-boson model.
Most of the mathematical approaches for quantum Langevin equation are based on the non-commutativity of the random force operators. Non-commutative random force operators are introduced in order to guarantee that the equal-time commutation relation for the stochastic annihilation and creation operators preserves in time. If it is true, it means that the origin of dissipation is of quantum mechanical. However, physically, it is hard to believe it. By making use of the unified canonical operator formalism for the system of the quantum stochastic differential equations within Non-Equilibrium Thermo Field Dynamics, it is shown that it is not true in general.
Abstract Processes at the nanoscale happen far away from the thermodynamic limit, far from equilibrium and are dominated by fluctuations and, perhaps, even quantum effects. This book establishes a consistent thermodynamic framework for such processes by combining tools from non-equilibrium statistical mechanics and the theory of open quantum systems. The book is accessible for graduate students and of interest to all researchers striving for a deeper understanding of the laws of thermodynamics beyond their traditional realm of applicability. It puts most emphasis on the microscopic derivation and understanding of key principles and concepts as well as their interrelation. The topics covered in this book include (quantum) stochastic processes, (quantum) master equations, local detailed balance, classical stochastic thermodynamics, (quantum) fluctuation theorems, strong coupling and non non-Markovian effects, thermodynamic uncertainty relations, operational approaches, Maxwell's demon and time-reversal symmetry, among other topics. Furthermore, the book treats a few applications in detail to illustrate the general theory and its potential for practical applications. These are single-molecule pulling experiments, quantum transport and thermoelectric effects in quantum dots, the micromaser and related set-ups in quantum optics.
The fluctuation-dissipation theorem (FDT) is a central result in statistical physics, both for classical and quantum systems. It establishes a relationship between the linear response of a system under a time-dependent perturbation and time correlations of certain observables in equilibrium. Here we derive a generalization of the theorem which can be applied to any Markov quantum system and makes use of the symmetric logarithmic derivative (SLD). There are several important benefits from our approach. First, such a formulation clarifies the relation between classical and quantum versions of the equilibrium FDT. Second, and more important, it facilitates the extension of the FDT to arbitrary quantum Markovian evolution, as given by quantum maps. Third, it clarifies the connection between the FDT and quantum metrology in systems with a non-equilibrium steady state.
The nonlinear equation of motion that accomplishes a self-consistent unification of quantum mechanics (QM) and thermodynamics conceptually different from the (von Neumann) foundations of quantum statistical mechanics (QSM) and (Jaynes) quantum information theory (QIT), but which reduces to the same mathematics for the thermodynamic equilibrium (TE) states, and contains standard QM in that it reduces to the time-dependent Schrodinger equation for zero entropy states is discussed in full mathematical detail. By restricting the discussion to a strictly isolated system (noninteracting, disentangled and uncorrelated), we show how the theory departs from the conventional QSM/QIT rationalization of the second law of thermodynamics, which instead emerges in QT (quantum thermodynamics) as a theorem of existence and uniqueness of a stable equilibrium state for each set of mean values of the energy and the number of constituent particles. To achieve this, the theory assumes Trρ lnρ B −k for the physical entropy and is designed to implement two fundamental ansatzs: (1) that in addition to the standard QM states described by idempotent density operators (zero entropy), a strictly isolated and uncorrelated system admits also states that must be described by non-idempotent density operators (nonzero entropy); (2) that for such additional states the law of causal evolution is determined by the simultaneous action of a Schrodinger-von Neumann-type Hamiltonian generator and a nonlinear dissipative generator which conserves the mean values of the energy and the number of constituent particles, and in forward time drives the density operator in the 'direction' of steepest entropy ascent (maximal entropy generation). The resulting dynamics is well defined for all non-equilibrium states, no matter how far from TE. Existence and uniqueness of solutions of the Cauchy initial value problem for all density operators implies that the equation of motion can be solved not only in forward time, to describe relaxation towards TE, but also in backward time, to reconstruct the 'ancestral' or primordial lowest entropy state or limit cycle from which the system originates. Zero entropy states as well as a well defined family of non-dissipative states evolve unitarily according to pure Hamiltonian dynamics and can be viewed as unstable limit cycles of the general nonlinear dynamics.