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Communications in Computational Chemistry

Impact of Environmental Energy Spectrum on the Non-Markovianity of Pure-Dephasing Open Quantum Dynamics

S Luo, Xiao Zheng

Published May 16, 2026• 0 citations
Publisher

Abstract

To systematically characterize the effects of environmental energy structure on the non-Markovianity of open quantum dynamics, we focus on the pure-dephasing scenario where the analytical solution to a Lindblad quantum master equation for the reduced system state is available. In this work, we propose a condition for the environmental spectral function to realize infinite non-Markovian revivals during the dynamical process. We further exhibit a specific case where the non-Markovianity measure becomes infinite.

DOI
10.4208/cicc.2025.281.01

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To systematically characterize the effects of environmental energy structure on the non-Markovianity of open quantum dynamics, we focus on the pure-dephasing scenario where the analytical solution to a Lindblad quantum master equation for the reduced system state is available. In this work, we propose a condition for the environmental spectral function to realize infinite non-Markovian revivals during the dynamical process. We further exhibit a specific case where the non-Markovianity measure becomes infinite.
In the first part of this thesis, we investigate the dynamics of open quantum systems coupled in a purely dephasing way to their environment, which is a paradigmatic example of decoherent dynamics. We focus more specifically on the emergence of non-Markovian effects in the dynamics of such open systems. After reviewing different measures of non-Markovianity, we obtain an analytical expression for the reduced density operator of a finite-dimensional open system coupled with its environment through time-dependent purely dephasing interactions. When the system is initially uncorrelated with its environment, we obtain the time-local master equation that describes its dynamics. In this case, we also derive an exact expression for the witness of non-Markovianity based on the volume of accessible states of the open system. These results are then applied to spin systems coupled to either a spin or a bosonic environment. For spin environments, we study non-Markovianity for different ranges of interaction and in different thermodynamical limits. Moreover, the generation of entanglement between the open system and its environment as well as between spins within the open system is investigated. For bosonic environments, we study the effect of the initial state of the environment on non-Markovianity. We also show that time-dependent modulations of the system-environment coupling can dramatically alter the non-Markovian behavior of the open system. Finally, we consider the case of an open quantum system simultaneously coupled to spin and bosonic baths. In that case, we study how the coupling between the different baths and of the presence of initial correlations in the environment affect the non-Markovianity displayed by the open quantum system. The second part of this thesis is a contribution to the investigation of how quantum systems can be used to process information. More precisely, we focus on the implementation of gate-based quantum computing using neutral atoms trapped in optical or magnetic lattices and interacting through dipole-dipole interactions when excited to Rydberg states. In this context, we present protocols implementing two-qubit quantum gates between atoms far apart in the lattice. To this end, we propose to use a chain of non-coding ancilla atoms to transfer the state of the control qubit to an atom near the target qubit. Before discussing entangling gates between distant qubits, we present two protocols that implement state transfer along a chain of two-level atoms relying respectively on single- and two-atom laser pulses combined with dipole blockade. After reviewing protocols implementing CZ and CNOT gates between nearby qubits using dipole-dipole interactions, we show how the state-transfer protocols previously presented can be used to perform entangling gates between distant qubits. The performance of the state-transfer and gate protocols are assessed using the process fidelity. Moreover, we provide a theoretical explanation for the behavior of the process fidelity with respect to dissipation and imperfect blockade.
This Thesis discusses the phenomenology of the dynamics of open quantum systems marked by non-Markovian memory effects. Non-Markovian open quantum systems are the focal point of a flurry of recent research aiming to answer, e.g., the following questions: What is the characteristic trait of non-Markovian dynamical processes that discriminates it from forgetful Markovian dynamics? What is the microscopic origin of memory in quantum dynamics, and how can it be controlled? Does the existence of memory effects open new avenues and enable accomplishments that cannot be achieved with Markovian processes? These questions are addressed in the publications forming the core of this Thesis with case studies of both prototypical and more exotic models of open quantum systems. In the first part of the Thesis several ways of characterizing and quantifying non-Markovian phenomena are introduced. Their differences are then explored using a driven, dissipative qubit model. The second part of the Thesis focuses on the dynamics of a purely dephasing qubit model, which is used to unveil the origin of non-Markovianity for a wide class of dynamical models. The emergence of memory is shown to be strongly intertwined with the structure of the spectral density function, as further demonstrated in a physical realization of the dephasing model using ultracold quantum gases. Finally, as an application of memory effects, it is shown that non- Markovian dynamical processes facilitate a novel phenomenon of timeinvariant discord, where the total quantum correlations of a system are frozen to their initial value. Non-Markovianity can also be exploited in the detection of phase transitions using quantum information probes, as shown using the physically interesting models of the Ising chain in a transverse field and a Coulomb chain undergoing a structural phase transition.
In this tutorial, I will review some recent progresses in non-Markovian dynamics of quantum open systems. I will be focused with non-Markovian quantum trajectories and non-Markovian master equation approaches. In particular, I will show how to derive an exact non-Markovian master equation from the corresponding quantum trajectories. I will also show how to use quantum trajectories to derive the well-known Kraus operators for pure dephasing noise. The applications of quantum trajectories to quantum information and decoherence will be briefly reviewed.
An open quantum system is a quantum system that interacts with some environment whose degrees of freedom have been coarse grained away. This model describes non-equilibrium processes more general than scattering-matrix formulations. Furthermore, the microscopically-derived environment provides a model of noise, dissipation and decoherence far more general than Markovian (white noise) models. The latter are fully characterized by Lindblad equations and can be motivated phenomenologically. Non-Markovian processes consistently account for backreaction with the environment and can incorporate effects such as finite temperature and spatial correlations. We consider linear systems with bilinear coupling to the environment, or quantum Brownian motion, and nonlinear systems with weak coupling to the environment. For linear systems we provide exact solutions with analytical results for a variety of spectral densities. Furthermore, we point out an important mathematical subtlety which led to incorrect master-equation coefficients in earlier derivations, given nonlocal dissipation. For nonlinear systems we provide perturbative solutions by translating the formalism of canonical perturbation theory into the context of master equations. It is shown that unavoidable degeneracy causes an unfortunate reduction in accuracy between perturbative master equations and their solutions. We also extend the famous theorem of Lindblad, Gorini, Kossakowski and Sudarshan on completely positivity to non-Markovian master equations. Our application is primarily to model atoms interacting via a common electromagnetic field. The electromagnetic field contains correlations in both space and time, which are related to its relativistic (photon-mediated) nature. As such, atoms residing in the same field experience different environmental effects depending upon their relative position and orientation. Our more accurate solutions were necessary to assess sudden death of entanglement at zero temperature. In contrast to previous claims, we found that all initial states of two-level atoms undergo finite-time disentanglement. We were also able to access regimes which cannot be described by Lindblad equations and other simpler methods, such as near resonance. Finally we revisit the infamous Abraham-Lorentz force, wherein a single particle in motion experiences backreaction from the electromagnetic field. This leads to a number of well-known problems including pre-acceleration and runaway solutions. We found a more a more-suitable open-system treatment of the nonrelativistic particle to be perfectly causal and dissipative without any extraneous requirements for finite size of the particle, weak coupling to the field, etc..
The investigation of the phenomenon of dephasing assisted quantum transport, which happens when the presence of dephasing benefits the efficiency of this process, has been mainly focused on Markovian scenarios associated with constant and positive dephasing rates in their respective Lindblad master equations. What happens if we consider a more general framework, where time-dependent dephasing rates are allowed, thereby, permitting the possibility of non-Markovian scenarios? Does dephasing-assisted transport still manifest for non-Markovian dephasing? Here, we address these open questions in a setup of coupled two-level systems. Our results show that the manifestation of non-Markovian dephasing-assisted transport depends on the way in which the incoherent energy sources are locally coupled to the chain. This is illustrated with two different configurations, namely non-symmetric and symmetric. Specifically, we verify that non-Markovian dephasing-assisted transport manifested only in the non-symmetric configuration. This allows us to draw a parallel with the conditions in which time-independent Markovian dephasing-assisted transport manifests. Finally, we find similar results by considering a controllable and experimentally implementable system, which highlights the significance of our findings for quantum technologies.
The reduced description of the quantum dynamic processes in the condensed phase environment leads to the equation of motion with a memory kernel. Such a memory effect, termed non-Markovianity, presents more complex dynamics compared to its memoryless or Markovian counterpart, and many chemical systems have been demonstrated through numerical simulations to exhibit non-Markovian quantum dynamics. Explicitly how the memory impacts the dynamic process remains largely unexplored. In this work, we focus on ways to separate the non-Markovian contributions from the dynamics and study the non-Markovian effects. Specifically, we developed a rigorous procedure for mapping the exact non-Markovian quantum propagator to the Lindblad form. Consequently, it allows us to extract the negative decay rate from the Lindbladian that is the signature of the non-Markovianity. By including or excluding the negative rate in the time evolution, we can decisively pinpoint the influence of non-Markovianity on the system's properties such as coherence, entanglement, and equilibrium state distribution. The understanding of such memory effects on the dynamic process suggests the possibility of leveraging non-Markovianity for quantum control.