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arXiv:1501.06090 · Physical review. E

Probability-current analysis of energy transport in open quantum systems

Jan Roden, K. Birgitta Whaley

Published Jan 19, 2016• 16 citations
arXivHTMLPDF

Abstract

We introduce a probability-current analysis of excitation energy transfer between states of an open quantum system. Expressing the energy transfer through currents of excitation probability between the states in a site representation enables us to gain key insights into the energy transfer dynamics. In particular, the analysis yields direct identification of the pathways of energy transport in large networks of sites and quantifies their relative weights, as well as the respective contributions of unitary dynamics, coherence, dephasing, and relaxation and dissipation processes to the energy transfer. It thus provides much more information than studying only excitation probabilities of the states as a function of time. Our analysis is general and can be readily applied to a broad range of dynamical descriptions of open quantum system dynamics with coupling to non-Markovian or Markovian environments.

DOI
10.1103/physreve.93.012128

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We introduce a probability-current analysis of excitation energy transfer between states of an open quantum system. Expressing the energy transfer through currents of excitation probability between the states in a site representation enables us to gain key insights into the energy transfer dynamics. In particular, the analysis yields direct identification of the pathways of energy transport in large networks of sites and quantifies their relative weights, as well as the respective contributions of unitary dynamics, coherence, dephasing, and relaxation and dissipation processes to the energy transfer. It thus provides much more information than studying only excitation probabilities of the states as a function of time. Our analysis is general and can be readily applied to a broad range of dynamical descriptions of open quantum system dynamics with coupling to non-Markovian or Markovian environments.
The basic features of the dynamics of open quantum systems, such as the dissipation of energy, the decay of coherences, the relaxation to an equilibrium or non-equilibrium stationary state, and the transport of excitations in complex structures are of central importance in many applications of quantum mechanics. The theoretical description, analysis and control of non-Markovian quantum processes play an important role in this context. While in a Markovian process an open system irretrievably loses information to its surroundings, non-Markovian processes feature a flow of information from the environment back to the open system, which implies the presence of memory effects and represents the key property of non-Markovian quantum behavior. Here, we review recent ideas developing a general mathematical definition for non-Markoviantiy in the quantum regime and a measure for the degree of memory effects in the dynamics of open systems which are based on the exchange of information between system and environment. We further study the dynamical effects induced by the presence of system-environment correlations in the total initial state and design suitable methods to detect such correlations through local measurements on the open system.
The dynamics of a many-body system coupled to an external environment represents a fundamentally important problem. To this class of open quantum systems pertains the study of energy transport and dissipation, dephasing, quantum measurement and quantum information theory, phase transitions driven by dissipative effects, etc. Here, we discuss in detail an extension of time-dependent current-density-functional theory (TDCDFT), we named stochastic TDCDFT [Phys. Rev. Lett. 98, 226403 (2007)], which allows the description of such problems from a microscopic point of view. We discuss the assumptions of the theory, its relation to a density-matrix formalism, and the limitations of the latter in the present context. In addition, we describe a numerically convenient way to solve the corresponding equations of motion and apply this theory to the dynamics of a one-dimensional gas of excited bosons confined in a harmonic potential and in contact with an external bath.
We present a general and practical theoretical framework to investigate how energy is dissipated in open quantum system dynamics. This is performed by quantifying the contributions of individual bath components to the overall dissipation of the system. The framework is based on the Nakajima-Zwanzig projection operator technique, which allows us to express the rate of energy dissipation into a specific bath degree of freedom by using traces of operator products. The approach captures system-bath interactions to all orders, but is based on second-order perturbation theory on the off-diagonal subsystem's couplings and a Markovian description of the bath. The usefulness of our theory is demonstrated by applying it to various models of open quantum systems involving harmonic oscillators or spin baths and connecting the outcomes to existing results such as our previously reported formula derived for locally coupled harmonic baths [Kim and Franco, J. Chem. Phys. 154, 084109 (2021)]. We also prove that the dissipation calculated by our theory rigorously satisfies thermodynamic principles such as energy conservation and detailed balance. Overall, the strategy can be used to develop the theory and simulation of dissipation pathways to interpret and engineer the dynamics of open quantum systems.
We explore signatures of the non-Markovianity in the time-resolved energy transfer processes for quantum open systems. Focusing on typical systems such as the exact solvable damped Jaynes-Cummings model and the general spin-boson model, we establish quantitative links between the time-resolved energy current and the symmetric logarithmic derivative quantum Fisher information (SLD-QFI) flow, one of measures quantifying the non-Markovianity, within the framework of non-Markovian master equations in time-local forms. From the relationships, we find in the damped Jaynes-Cummings model that the SLD-QFI backflow from the reservoir to the system always correlates with an energy backflow, thus we can directly witness the non-Markovianity from the dynamics of the energy current. In the spin-boson model, the relation is built on the rotating-wave approximation, calibrated against exact numerical results, and proven reliable in the weak coupling regime. We demonstrate that whether the non-Markovianity guarantees the occurrence of an energy backflow depends on the bath spectral function. For the Ohmic and sub-Ohmic cases, we show that no energy backflow occurs and the energy current always flow out of the system even in the non-Markovian regime. While in the super-Ohmic case, we observe that the non-Markovian dynamics can induce an energy backflow.
We introduce a systematic framework to derive the effective Hamiltonian governing the coherent dynamics of non-Markovian open quantum systems. By applying the minimal dissipation principle, we uniquely isolate the coherent contribution to the time-local generator of the reduced dynamics. We derive a general expression for the effective Hamiltonian and develop a recursive perturbative expansion that expresses it in terms of system-bath interaction terms and bath correlation functions. This expansion provides a systematic tool for analyzing energy renormalization effects across different coupling regimes. Applying our framework to paradigmatic spin systems, we reveal how environmental correlations influence energy shifts and eigenbasis rotations, offering insights into strong-coupling effects and non-Markovian quantum thermodynamics.
Abstract We study the excitation transfer across a fully connected quantum network whose sites energies can be artificially designed. Starting from a simplified model of a broadly-studied physical system, we systematically optimize its local energies to achieve high excitation transfer for various environmental conditions, using an adaptive Gradient Descent technique and Automatic Differentiation. We show that almost perfect transfer can be achieved with and without local dephasing, provided that the dephasing rates are not too large. We investigate our solutions in terms of resilience against variations in either the network connection strengths, or size, as well as coherence losses. We highlight the different features of a dephasing-free and dephasing-driven transfer. Our work gives further insight into the interplay between coherence and dephasing effects in excitation-transfer phenomena across fully connected quantum networks. In turn, this will help designing optimal transfer in artificial open networks through the simple manipulation of local energies.