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arXiv:1605.07497 · Physical Review A

Weak-coupling master equation for arbitrary initial conditions

Jad C. Halimeh, Inés de Vega

Published May 10, 2017• 12 citations
arXivHTMLPDF

Abstract

The structure of the initial system-environment state is fundamental to determining the nature and characteristics of the evolution of such an open quantum system. The usual assumption is to consider that the initial system-environment state is separable. Here, we go beyond this simple case and derive the evolution equations, up to second order in a weak-coupling expansion, that describe the evolution of the reduced density matrix of the system for any arbitrary system-environment initial state. The structure of these equations allows us to determine the initial conditions for which the evolution of the reduced density matrix can be written in terms of a set of Lindblad-like equations, once considering the Markov and secular approximations. Moreover, we show that for initial states belonging to a subset of separable states such Lindblad-like equations become actual Lindblad equations and that the evolution of ${\ensuremath{\rho}}_{s}$ thereby obtained is also trace and positive preserving.

DOI
10.1103/physreva.95.052108

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The structure of the initial system-environment state is fundamental to determining the nature and characteristics of the evolution of such an open quantum system. The usual assumption is to consider that the initial system-environment state is separable. Here, we go beyond this simple case and derive the evolution equations, up to second order in a weak-coupling expansion, that describe the evolution of the reduced density matrix of the system for any arbitrary system-environment initial state. The structure of these equations allows us to determine the initial conditions for which the evolution of the reduced density matrix can be written in terms of a set of Lindblad-like equations, once considering the Markov and secular approximations. Moreover, we show that for initial states belonging to a subset of separable states such Lindblad-like equations become actual Lindblad equations and that the evolution of \ensuremathρs{\ensuremath{\rho}}_{s}\ensuremathρs​ thereby obtained is also trace and positive preserving.
The Lindblad theory of open quantum systems has been successfully applied in various fields ranging from quantum optics, condensed matter physics, and quantum thermodynamics to quantum chemistry. Nevertheless, there are situations where we can compare its predictions to those of exact methods or numerically exact results and find discrepancies between them. One example is the case where a single harmonic oscillator is coupled to a thermal bath of independent harmonic oscillators. In this case, for certain parameters, the exact master equation describes equilibration of the system to a thermal state with a temperature different from the one predicted by the Lindblad master equation. The Lindblad theory, based on a weak coupling between the system and environment as well as the Born-Markov approximation, predicts that the system will evolve to a thermal state whose temperature is equal to the initial temperature of the bath. This result is a consequence of the Born approximation, which supposes that throughout the evolution, the bath only fluctuates around its initial equilibrium state. In this master thesis we study the validity of the Born approximation as well as its consistency with other approximations. By starting from a Hamiltonian for the total system we show that, if the the Born approximation is not invoked, the dynamics of the system is determined by a hierarchy of equations for matrices which can be used to reconstruct the reduced density matrix of the system. This hierarchy approach is fundamentally different from the standard approach, which describes the system dynamics with a weak-coupling master equation, because the hierarchy does not restrict the amount of entanglement possible between the system and the environment. Furthermore, we show how invoking the Born approximation reduces to the usual result and how a generalised ansatz, which we refer to as a generalised Born approximation, reduces the hierarchy to a master equation where the bath temperature is an additional degree of freedom. Finally, we analyse the conservation of the energy of the total system and its relationship to the Markov and secular approximations, and discuss whether imposing it as a condition can fix the time-dependent temperature.
By exploiting the peculiarities of a recently introduced formalism for describing open quantum systems (the parametric representation with environmental coherent states) we derive an equation of motion for the reduced density operator of an open quantum system that has the same structure of the celebrated Gorini–Kossakowski–Sudarshan–Lindblad equation, but holds regardless of Markovianity being assumed. The operators in our result have explicit expressions in terms of the Hamiltonian describing the interactions with the environment, and can be computed once a specific model is considered. We find that, instead of a single set of Lindblad operators, in the general (non-Markovian) case there one set of Lindblad-like operators for each and every point of a symplectic manifold associated to the environment. This intricacy disappears under some assumptions (which are related to Markovianity and the classical limit of the environment), under which it is possible to recover the usual master-equation formalism. Finally, we find such Lindblad-like operators for two different models of a qubit in a bosonic environment, and show that in the classical limit of the environment their renown master equations are recovered.
We develop a framework that allows us to describe the dynamics of the total state of an open quantum system and its bosonic environment in the usual Born (weak coupling) and Markov approximation. By shifting the whole time-dependence into an unnormalized s-operator of the open system, the full dynamics is captured by an s-master equation of similar structure than the well-known Gorini-Kossakowski-Sudarshan-Lindblad (GKSL) master equation for the reduced dynamics. By varying the ordering parameter s (0 ≤ s ≤ 1) we obtain the partial Husimi representation (s = 0) and the partial Glauber-Sudarshan representation (s = 1) for the dynamics of the total state. For the reduced density operator the GKSL master equation can be derived easily. The case of s = 1/2, leading to a partial Wigner representation, is helpful to study the overlap of states in the total Hilbert space of system and environment.
The Lindblad (GKLS) master equation, which represents the mathematical form for the general evolution of a density matrix, is a versatile and widely-used tool in open quantum systems. In contrast with the typical approach of imposing additional conditions on the system, such as weak coupling or energy conservation, we explore the structure of the equation with no assumptions. We demonstrate that general quantum dynamics can be expressed through a combination of free evolution, exchanges of some physical quantities (generalised charges), not necessarily commuting with the Hamiltonian, between the system and the bath, and pure dephasing. This result comprises a novel perspective on quantum master equations, employing physical processes as elemental parts. We use it to explore the dynamics and stationary states of a two-level system and show that strong coupling, particle exchange, and non-Abelian effects all share the same physical origin. Moreover, we demonstrate that the generalised Gibbs state for all three cases contains a non-commutation term, which has not been previously considered.
Derivation of a quantum master equation for a system weakly coupled to a bath which takes into account nonsecular effects, but nevertheless has the mathematically correct Gorini-Kossakowski-Lindblad-Sudarshan form (in particular, it preserves positivity of the density operator) and also satisfies the standard thermodynamic properties is a known long-standing problem in theory of open quantum systems. The nonsecular terms are important when some energy levels of the system or their differences (Bohr frequencies) are nearly degenerate. We provide a fully rigorous derivation of such equation based on a formalization of the weak-coupling limit for the general case.
We put forth a new class of quantum master equations that correctly reproduce the asymptotic state of an open quantum system beyond the infinitesimally weak system-bath coupling limit. Our method is based on incorporating the knowledge of the reduced steady state into its dynamics. The correction not only steers the reduced system toward a correct steady state but also improves the accuracy of the dynamics, thereby refining the archetypal Born-Markov weak-coupling second-order master equations. In case of equilibrium, we use the exact mean-force Gibbs state to correct the Redfield quantum master equation. By benchmarking it with the exact solution of the damped harmonic oscillator, we show that our method also helps correct the long-standing issue of positivity violation, albeit without complete positivity. Our method of a canonically consistent quantum master equation opens a new perspective in the theory of open quantum systems leading to a reduced density matrix accurate beyond the commonly used Redfield and Lindblad equations, while retaining the same conceptual and numerical complexity.