Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Physical Review A

Quantum relaxation with initial system-bath correlations

Klaus Kassner

Published Dec 1, 1987• 20 citations
Publisher

Abstract

A new type of projection operator is used to derive homogeneous equations of motion for the reduced density operator of a system coupled to a bath. Crucial simplifications of these equations are obtained without assuming that the projection operator and the zeroth-order Hamiltonian commute. No factorization assumption for the initial density matrix is made. The applicability of the general formalism, which is valid also for nonergodic initial conditions, to physically relevant situations is investigated. It turns out to be particularly useful for the treatment of a system initially submitted to some constraints but otherwise in equilibrium. The relaxation towards the unconstrained equilibrium of a two-level system in contact with an Ohmic bath is treated as an example. The reduced equilibrium density operator of this system is obtained analytically for the case of extremely low temperatures. The result shows and it is then proved rigorously that the zero-temperature reduced density operator does not describe a pure state in general, except in the zero-coupling limit.

DOI
10.1103/physreva.36.5381

Related papers

Influence of initial correlations on evolution over time of an open quantum system

Victor F. Los

A novel approach to accounting for the influence of initial system-bath correlations on the dynamics of an open quantum system, based on the conventional projection operator technique, is suggested. To avoid the difficulties of treating the initial correlations, the conventional Nakajima-Zwanzig inhomogeneous generalized master equations (GMEs) for a system's reduced statistical operator and correlation function are exactly converted into the homogeneous GMEs (HGMEs), which take into account the initial correlations in the kernel governing the evolution of these HGMEs. In the second order (Born) approximation in the system-bath interaction, the obtained HGMEs are local in time and valid at all timescales. They are further specialized for a realistic equilibrium Gibbs initial (at $t=t_0$) system+bath state (for a system reduced statistical operator an external force at $t>t_0$ is applied) and then for a bath of oscillators (Boson field). As an example, the evolution of a selected quantum oscillator (a localized mode) interacting with a Boson field (Fano-like model) is considered at different timescales. It is shown explicitly how the initial correlations influence the oscillator evolution process. In particular, it is shown that the equilibrium system's correlation function acquires at the large timescale the additional constant phase factor conditioned by survived initial system-bath correlations.

arXiv:2405.07299•May 12, 2024•0 citations

On the Theory of Relaxation Processes

Alfred G. Redfield

A general procedure is given for finding the equation of motion of the density matrix of a system in contact with a thermal bath, as for example a nuclear spin system weakly coupled to a crystal lattice. The thermal bath is treated both classically and quantum mechanically, and the theory is similar to, and a generalization of, conventional theories of time proportional transition probabilities. Relaxation of the system by the thermal bath is expressed by a linear matrix operator, and it is stressed that elements of this operator can be regarded as secular or nonsecular perturbations on the equation of motion and can be treated accordingly. When the motion of the system is slow compared to that of the thermal bath, the equation of motion can be expressed in an operator form which is independent of representation. If the system has a time-dependent Hamiltonian which varies slowly compared to the motion of the thermal bath, the same equation of motion is obeyed and the system is relaxed by the bath toward a Boltzmann distribution with respect to its instantaneous Hamiltonian. If the time variation of the Hamiltonian is more rapid, higher order corrections to the equation of motion must be applied. The theory is applied to spin-lattice relaxation of a coupled nuclear spin system in a metal, for arbitrary externally applied fixed magnetic field.

IBM Journal of Research and Development•Jan 1, 1957•1,803 citations

The quantum mechanical density operator and its time evolution

Abraham Nitzan

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.

•Jun 14, 2024•0 citations

Time-dependent projection-operator approach to master equations for coupled systems

C. R. Willis, Richard H. Picard

In this paper we derive master equations for two or more systems coupled to each other, perhaps strongly, by using a generalization of the usual projection-operator technique to include time-dependent projection operators. The coupled systems may be either similar or dissimilar and classical or quantum mechanical. Whereas the customary approaches to coupled systems are best able to treat situations in which some of the systems are "baths" with a specified density operator or phase-space probability density, our approach allows us to treat situations where it is necessary or convenient to treat the coupled systems on an equal footing. In our scheme the "relevant" part of the full density operator is considered to be the uncorrelated part of the full density operator and is a symmetric functional of the reduced density operators of each of the coupled subsystems. The "irrelevant" part of the density operator is then the part describing correlations between the coupled systems. Our formalism is particularly useful where systems are coupled to one another predominantly in a self-consistent fashion. First, we develop exact master equations for two coupled systems, taking as our prototype the dynamical problem of quantum optics, where a spatially extended collection of two-level atoms interact with a multimode optical field. We then generalize our results to $N$ coupled systems, taking as our prototype the kinetics of a classical nonideal gas interacting through two-body forces, and derive exact master equations for the system. We then consider as examples several approximate theories resulting from our exact equations. In the case of the imperfect gas we investigate the low-density limit and show how Bogoliubov's form of the Boltzmann equation emerges from our formalism, as well as corrections due to Klimontovich. We consider as special cases of our exact quantum-optical equations the equations in the first Born approximation, with and without memory, and show how several existing quantum-optical master equations are contained in our general results. As a second example in quantum optics, we consider the case where the predominant behavior of the system is described by the self-consistent-field or coupled Bloch and Maxwell equations and derive a first-order perturbation description for deviations from self-consistent-field behavior.

Physical Review A•Mar 1, 1974•185 citations

Analytical derivation of equilibrium state for open quantum system

Andrius Gelžinis, Leonas Valkūnas

Calculation of the equilibrium state of an open quantum system interacting with a bath remains a challenge to this day, mostly due to a huge number of bath degrees of freedom. Here, we present an analytical expression for the reduced density operator in terms of an effective Hamiltonian for a high temperature case. Comparing with numerically exact results, we show that our theory is accurate for slow baths and up to intermediate system-bath coupling strengths. Our results demonstrate that the equilibrium state does not depend on the shape of spectral density in the slow bath regime. The key quantity in our theory is the effective coupling between the states, which depends exponentially on the ratio of the reorganization energy to temperature and, thus, has opposite temperature dependence than could be expected from the small polaron transformation.

The Journal of Chemical Physics•Feb 5, 2020•23 citations

Theory of open quantum systems

Rui‐Xue Xu, YiJing Yan

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.

The Journal of Chemical Physics•May 9, 2002•5,903 citations
A new type of projection operator is used to derive homogeneous equations of motion for the reduced density operator of a system coupled to a bath. Crucial simplifications of these equations are obtained without assuming that the projection operator and the zeroth-order Hamiltonian commute. No factorization assumption for the initial density matrix is made. The applicability of the general formalism, which is valid also for nonergodic initial conditions, to physically relevant situations is investigated. It turns out to be particularly useful for the treatment of a system initially submitted to some constraints but otherwise in equilibrium. The relaxation towards the unconstrained equilibrium of a two-level system in contact with an Ohmic bath is treated as an example. The reduced equilibrium density operator of this system is obtained analytically for the case of extremely low temperatures. The result shows and it is then proved rigorously that the zero-temperature reduced density operator does not describe a pure state in general, except in the zero-coupling limit.
A novel approach to accounting for the influence of initial system-bath correlations on the dynamics of an open quantum system, based on the conventional projection operator technique, is suggested. To avoid the difficulties of treating the initial correlations, the conventional Nakajima-Zwanzig inhomogeneous generalized master equations (GMEs) for a system's reduced statistical operator and correlation function are exactly converted into the homogeneous GMEs (HGMEs), which take into account the initial correlations in the kernel governing the evolution of these HGMEs. In the second order (Born) approximation in the system-bath interaction, the obtained HGMEs are local in time and valid at all timescales. They are further specialized for a realistic equilibrium Gibbs initial (at t=t0t=t_0t=t0​) system+bath state (for a system reduced statistical operator an external force at t>t0t>t_0t>t0​ is applied) and then for a bath of oscillators (Boson field). As an example, the evolution of a selected quantum oscillator (a localized mode) interacting with a Boson field (Fano-like model) is considered at different timescales. It is shown explicitly how the initial correlations influence the oscillator evolution process. In particular, it is shown that the equilibrium system's correlation function acquires at the large timescale the additional constant phase factor conditioned by survived initial system-bath correlations.
A general procedure is given for finding the equation of motion of the density matrix of a system in contact with a thermal bath, as for example a nuclear spin system weakly coupled to a crystal lattice. The thermal bath is treated both classically and quantum mechanically, and the theory is similar to, and a generalization of, conventional theories of time proportional transition probabilities. Relaxation of the system by the thermal bath is expressed by a linear matrix operator, and it is stressed that elements of this operator can be regarded as secular or nonsecular perturbations on the equation of motion and can be treated accordingly. When the motion of the system is slow compared to that of the thermal bath, the equation of motion can be expressed in an operator form which is independent of representation. If the system has a time-dependent Hamiltonian which varies slowly compared to the motion of the thermal bath, the same equation of motion is obeyed and the system is relaxed by the bath toward a Boltzmann distribution with respect to its instantaneous Hamiltonian. If the time variation of the Hamiltonian is more rapid, higher order corrections to the equation of motion must be applied. The theory is applied to spin-lattice relaxation of a coupled nuclear spin system in a metal, for arbitrary externally applied fixed magnetic field.
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.
In this paper we derive master equations for two or more systems coupled to each other, perhaps strongly, by using a generalization of the usual projection-operator technique to include time-dependent projection operators. The coupled systems may be either similar or dissimilar and classical or quantum mechanical. Whereas the customary approaches to coupled systems are best able to treat situations in which some of the systems are "baths" with a specified density operator or phase-space probability density, our approach allows us to treat situations where it is necessary or convenient to treat the coupled systems on an equal footing. In our scheme the "relevant" part of the full density operator is considered to be the uncorrelated part of the full density operator and is a symmetric functional of the reduced density operators of each of the coupled subsystems. The "irrelevant" part of the density operator is then the part describing correlations between the coupled systems. Our formalism is particularly useful where systems are coupled to one another predominantly in a self-consistent fashion. First, we develop exact master equations for two coupled systems, taking as our prototype the dynamical problem of quantum optics, where a spatially extended collection of two-level atoms interact with a multimode optical field. We then generalize our results to NNN coupled systems, taking as our prototype the kinetics of a classical nonideal gas interacting through two-body forces, and derive exact master equations for the system. We then consider as examples several approximate theories resulting from our exact equations. In the case of the imperfect gas we investigate the low-density limit and show how Bogoliubov's form of the Boltzmann equation emerges from our formalism, as well as corrections due to Klimontovich. We consider as special cases of our exact quantum-optical equations the equations in the first Born approximation, with and without memory, and show how several existing quantum-optical master equations are contained in our general results. As a second example in quantum optics, we consider the case where the predominant behavior of the system is described by the self-consistent-field or coupled Bloch and Maxwell equations and derive a first-order perturbation description for deviations from self-consistent-field behavior.
Calculation of the equilibrium state of an open quantum system interacting with a bath remains a challenge to this day, mostly due to a huge number of bath degrees of freedom. Here, we present an analytical expression for the reduced density operator in terms of an effective Hamiltonian for a high temperature case. Comparing with numerically exact results, we show that our theory is accurate for slow baths and up to intermediate system-bath coupling strengths. Our results demonstrate that the equilibrium state does not depend on the shape of spectral density in the slow bath regime. The key quantity in our theory is the effective coupling between the states, which depends exponentially on the ratio of the reorganization energy to temperature and, thus, has opposite temperature dependence than could be expected from the small polaron transformation.
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.