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arXiv:1201.1557 · Physical Review E

Derivation of quantum work equalities using a quantum Feynman-Kac formula

Fei Liu

Published Jul 6, 2012• 18 citations
arXivHTMLPDF

Abstract

On the basis of a quantum mechanical analog of the famous Feynman-Kac formula, we present a method to derive nonequilibrium work equalities for isolated quantum systems, which include the Jarzynski equality and Bochkov-Kuzovlev equality. Compared with other methods in the literature, our method shows a higher similarity in form to the method deriving the fluctuation relations in the classical systems.

DOI
10.1103/physreve.86.010103

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On the basis of a quantum mechanical analog of the famous Feynman-Kac formula, we present a method to derive nonequilibrium work equalities for isolated quantum systems, which include the Jarzynski equality and Bochkov-Kuzovlev equality. Compared with other methods in the literature, our method shows a higher similarity in form to the method deriving the fluctuation relations in the classical systems.
We briefly introduce the quantum Jarzynski and Bochkov-Kuzovlev equalities in isolated quantum Hamiltonian systems, which includes the origin of the equalities, their derivations using a quantum Feynman-Kac formula, the quantum Crooks equality, the evolution equations governing the characteristic functions of the probability density functions for the quantum work, the recent experimental verifications. Some results are given here first time. We particularly emphasize the formally structural consistence between these quantum equalities and their classical counterparts, which shall be useful in understanding the existing equalities and pursuing new fluctuation relations in other complex quantum systems.
The quantum version of the Bochkov-Kuzovlev identity is derived on the basis of the appropriate definition of work as the difference of the measured internal energies of a quantum system at the beginning and the end of an external action on the system given by a prescribed protocol. According to the spirit of the original Bochkov-Kuzovlev approach, we adopt the 'exclusive' viewpoint, meaning that the coupling to the external work source is not counted as part of the internal energy. The corresponding canonical and microcanonical quantum fluctuation theorems are derived as well, and are compared with the respective theorems obtained within the 'inclusive' approach. The relations between the quantum inclusive work w, the exclusive work w(0) and the dissipated work w(dis), are discussed and clarified. We show by an explicit example that w(0) and w(dis) are distinct stochastic quantities obeying different statistics.
We present two kinds of Bochkov-Kuzovlev work equalities in a two-level system that is described by a quantum Markovian master equation. One is based on multiple time correlation functions and the other is based on the quantum trajectory viewpoint. We show that these two equalities are indeed equivalent. Importantly, this equivalence provides us a way to calculate the probability density function of the quantum work by solving the evolution equation for its characteristic function. We use a numerical model to verify these results.
There are two related theorems which hold even in far from equilibrium, namely fluctuation theorem and Jarzynski equality. Fluctuation theorem states the existence of symmetry of fluctuation of entropy production, while the Jarzynski equality enables us to estimate the free energy change between two states by using irreversible processes. On the other hand, the relationship between these theorems was investigated by Crooks [Phys. Rev. E 60, 2721 (1999)] for the classical stochastic systems. In this paper, we derive quantum analogues of fluctuation theorem and Jarzynski equality in terms of microscopic reversibility. In other words, the quantum analog of the work by Crooks is presented. Also, for the quasiclassical Langevin system, microscopically reversible condition is confirmed.
High Resolution Image Download MS PowerPoint Slide We develop a nonequilibrium response theory for macroscopic quantum systems that separates the contributions of ensemble heterogeneity and intrinsic quantum uncertainty. To accomplish this, we describe systems with a quantum P -ensemble, which goes beyond the standard density matrix description by explicitly specifying the classical heterogeneity between individual quantum systems in an ensemble. We use the P -ensemble formalism to present quantum generalizations of linear response theory and the Jarzynski nonequilibrium work relation. We derive these generalizations from a Bochkov-Kuzovlev generating functional for quantum P -ensembles, which can be further utilized to derive all orders of response theory that apply to ensemble quantum systems. We contrast these developments with their ρ-ensemble analogs, and we discuss how these P -ensemble theories provide a guide for an effective application of single molecule experiments.