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Physica Scripta

About the general criteria for correct phenomenological relaxation operators of quantum systems

Maria Erukhimova, Mikhail D. Tokman

Published Mar 1, 2013• 1 citation
Publisher

Abstract

We define three general conditions that the relaxation operator in the von Neumann equation for the density matrix of an open quantum system should satisfy. The first one provides the correct relation between the macroscopic current and polarization in a quantum medium, the second is defined by thermodynamic arguments and the third one is imposed by gauge invariance of the solution. The corrected phenomenological relaxation operator is proposed for any quantum system with a discrete number of basis functions, as well as for a quantum system described by the density matrix in coordinate representation. The dissipative three-dimensional oscillator in an arbitrary oriented magnetic field is considered in detail. We have shown that the minimally modified relaxation operator in comparison with the standard relaxation operator, corresponding to tau-approximation, eventually leads to simpler and noncontradictory equations for the dynamics of averaged values of physical quantities.

DOI
10.1088/0031-8949/2013/t153/014023

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We define three general conditions that the relaxation operator in the von Neumann equation for the density matrix of an open quantum system should satisfy. The first one provides the correct relation between the macroscopic current and polarization in a quantum medium, the second is defined by thermodynamic arguments and the third one is imposed by gauge invariance of the solution. The corrected phenomenological relaxation operator is proposed for any quantum system with a discrete number of basis functions, as well as for a quantum system described by the density matrix in coordinate representation. The dissipative three-dimensional oscillator in an arbitrary oriented magnetic field is considered in detail. We have shown that the minimally modified relaxation operator in comparison with the standard relaxation operator, corresponding to tau-approximation, eventually leads to simpler and noncontradictory equations for the dynamics of averaged values of physical quantities.
We regard a current flow through an open one-dimensional quantum system which is determined by a dissipative Schrödinger operator. The imaginary part of the corresponding form originates from Robin boundary conditions with certain complex valued coefficients imposed on Schrödinger’s equation. This dissipative Schrödinger operator can be regarded as a pseudo-Hamiltonian of the corresponding open quantum system. The dilation of the dissipative operator provides a (self-adjoint) quasi-Hamiltonian of the system, more precisely, the Hamiltonian of the minimal closed system which contains the open one is used to define physical quantities such as density and current for the open quantum system. The carrier density turns out to be an expression in the generalized eigenstates of the dilation while the current density is related to the characteristic function of the dissipative operator. Finally a rigorous setup of a dissipative Schrödinger–Poisson system is outlined.
A quantum dissipation theory is constructed with the system–bath interaction being treated rigorously at the second-order cumulant level for both reduced dynamics and initial canonical boundary condition. The theory is valid for arbitrary bath correlation functions and time-dependent external driving fields, and satisfies correlated detailed-balance relation at any temperatures. The general formulation assumes a particularly simple form in driven Brownian oscillator systems in which the correlated driving-dissipation effects can be accounted for exactly in terms of local-field correction. Remarks on a class of widely used phenomenological quantum master equations that neglects the bath dispersion-induced dissipation are also made in contact with the present theory.
Pure quantum mechanics can be formulated as a Hamiltonian system in terms of the Liouville equation for the density matrix. Dissipative effects are modeled via coupling to a macroscopic system, where the coupling operators act via commutators. Following Öttinger (2010) we use the GENERIC framework to construct thermodynamically consistent evolution equations as a sum of a Hamiltonian and a gradient-flow contribution, which satisfy a particular non-interaction condition: We give three applications of the theory. First, we consider a finite-dimensional quantum system that is coupled to a finite number of simple heat baths, each of which is described by a scalar temperature variable. Second, we model quantum system given by a one-dimensional Schr\"odinger operator connected to a one-dimensional heat equation on the left and on the right. Finally, we consider thermo-opto-electronics, where the Maxwell-Bloch system of optics is coupled to the energy-drift-diffusion system for semiconductor electronics.
A generalization and modification of a previous discussion is given. By requiring that the steady states obtained in magnetic resonance experiments correspond to the minimum rate of entropy production, a condition is obtained which must be satisfied by the equation describing the rate of change of the spin density matrix due to interactions with the surroundings. This enables one to test the adequacy of the form of equations proposed to describe relaxation phenomena in resonance by finding whether they satisfy this condition, and, conversely, one can derive directly possible forms of macroscopic terms from its solutions. As examples of this procedure, the modified Bloch equations are derived, and the equation of Codrington, Olds, and Torrey is shown to be consistent with this condition. A corrected form of the Wangsness-Bloch equation for the rate of change of the density matrix is shown to be more adequate for arbitrary values of the fields, and the justification of the modified Bloch equations is also given in this way. Other examples, as well as the general relation of this work to irreversible thermodynamics, are discussed, and a generalized reciprocal relation is derived. The steady-state solutions of the new equations of motion are given in an appendix.
Abstract This chapter introduces the density operator and the Liouville equation and outlines how reduced dynamical description of open quantum systems naturally leads to the appearance of relaxation processes. (1) The density operator and the quantum Liouville equation (the density matrix for a pure system, statistical mixtures, representations, coherences, thermodynamic equilibrium). (2) An example: The time evolution of a two-level system in the density matrix formalism. (3) Reduced descriptions. (4) Time evolution equations for reduced density operators: The quantum master equation (projection operators, The Nakajima–Zwanzig equation, Derivation of the quantum master equation using the thermal projector, The quantum master equation in the interaction representation, The Markovian limit—the Redfield equation, The secular approximation and the Lindblad equation). (5) The Lindblad equation in the ‘Heisenberg representation’. (6) Relaxation of a two-level system and a harmonic oscillator revisited. (7) The optically driven two-level system in a thermal environment—the Bloch equations. (8) The oscillating dipole model of a two-level molecule. (9) Analogy of a coupled two-level system to a spin ½ system in a magnetic field.
Abstract We consider the transition from the description of a closed quantum system consisting of an open quantum system and a reservoir to the description of the open quantum system alone by eliminating the reservoir degrees of freedom by averaging over them. An approach based on the Lindblad master equation for the density matrix is used. A general scheme is developed for deriving the Lindblad superoperator that emerges after averaging the von Neumann equation over the reservoir degrees of freedom. This scheme is illustrated with the cases of radiation of a two-level atom into free space and the dynamics of the transition of a two-level atom from a pure state to a mixed state due to interaction with a dephasing reservoir. Special attention is paid to the open system consisting of several subsystems each of which independently interacts with the reservoir. In the case of noninteracting subsystems, the density matrix is a tensor product of the subsystem density matrices, and the Lindblad superoperator of the system is a sum of Lindblad superoperators of those subsystems. The interaction between the subsystems results not only in the emergence of the corresponding term in the Hamiltonian of the combined system but also in the nonadditivity of the Lindblad superoperators. This is often overlooked in modern literature, possibly leading, as is shown in this methodological note, to serious errors; for example, the second law of thermodynamics could be violated.