The time evolution of the purity (the trace of the square of the reduced density matrix) and von Neumann entropy in a symmetric two-level system coupled to a dissipative harmonic bath is investigated through analytical arguments and accurate path integral calculations on simple models and the singly excited bacteriochlorophyll dimer. A simple theoretical analysis establishes bounds and limiting behaviors. The contributions to purity from a purely incoherent term obtained from the diagonal elements of the reduced density matrix, a term associated with the difference of the two eigenstate populations, and a third term related to the square of the time derivative of a site population, are discussed in various regimes. In the case of tunneling dynamics from a localized initial condition, the complex interplay among these contributions leads to the recovery of purity under low-temperature, weakly dissipative conditions. Memory effects from the bath are found to play a critical role to the dynamics of purity. It is shown that the strictly quantum mechanical decoherence process associated with spontaneous phonon emission is responsible for the long-time recovery of purity. These analytical and numerical results show clearly that the loss of quantum coherence during the evolution toward equilibrium does not necessarily imply the decay of purity, and that the time scales relevant to these two processes may be entirely different.
The time evolution of the purity (the trace of the square of the reduced density matrix) and von Neumann entropy in a symmetric two-level system coupled to a dissipative harmonic bath is investigated through analytical arguments and accurate path integral calculations on simple models and the singly excited bacteriochlorophyll dimer. A simple theoretical analysis establishes bounds and limiting behaviors. The contributions to purity from a purely incoherent term obtained from the diagonal elements of the reduced density matrix, a term associated with the difference of the two eigenstate populations, and a third term related to the square of the time derivative of a site population, are discussed in various regimes. In the case of tunneling dynamics from a localized initial condition, the complex interplay among these contributions leads to the recovery of purity under low-temperature, weakly dissipative conditions. Memory effects from the bath are found to play a critical role to the dynamics of purity. It is shown that the strictly quantum mechanical decoherence process associated with spontaneous phonon emission is responsible for the long-time recovery of purity. These analytical and numerical results show clearly that the loss of quantum coherence during the evolution toward equilibrium does not necessarily imply the decay of purity, and that the time scales relevant to these two processes may be entirely different.
The time evolution of purity for an initially localized state of a symmetric two-level system coupled to a dissipative bath is investigated using numerically exact real-time path integral methods. With strong system-bath coupling and high temperature, the purity decays monotonically to its fully mixed value, with a short-time Gaussian behavior, which is subsequently followed by exponential evolution. However, under low-temperature and weak coupling conditions, a substantial recovery of purity is observed. A simple theoretical analysis reveals three contributions that correspond to a completely incoherent, eigenstate population difference and rate terms. The last two of these terms can counter the early drop of purity and are responsible for its rebound. These findings caution against using purity as a measure of decoherence in the dynamics of quantum dissipative systems.
We investigate the time evolution of the reduced density matrix (RDM) and its purity in the dynamics of a two-level system coupled to a dissipative harmonic bath, when the system is initially placed in one of its eigenstates. We point out that the symmetry of the initial condition confines the motion of the RDM elements to a one-dimensional subspace and show that the purity always goes through its maximally mixed value at some time during relaxation, but subsequently recovers and (under low-temperature, weakly dissipative conditions) can rise to values that approach unity. These behaviors are quantified through accurate path integral calculations. Under low-temperature, weakly dissipative conditions, we observe unusual, nonmonotonic population dynamics when the two-level system is initially placed in its ground state. We also analyze the origin of the system-bath interactions responsible for the nonmonotonic behavior of purity during relaxation. Our results show that classical dephasing processes arising from site level fluctuations lead to a monotonic decay of purity, and that the quantum mechanical decoherence events associated with spontaneous phonon emission are responsible for the subsequent recovery of purity. Last, we show that coupling with a low-temperature bath can purify a mixed two-level system. In the case of the maximally mixed initial RDM, the purity increases monotonically even during short time.
In this PhD thesis we have been concerned with dissipative and decoherence processes which take place specifically for quantum systems in a dissipative bistable potential. This potential describes a Hamiltonian system whose spectrum is composed by a ladder of levels, grouped as doublets under the potential barrier and being almost equally spaced above it. The system interacts with a thermal environment, fully characterized by the so-called bath spectral density. The dynamical quantity we looked at is the so-called reduced density matrix (RDM), obtained by tracing out the full density matrix the environmental degrees of freedom. The matrix elements for the RDM are exactly evaluated by means of the Feynman-Vernon real-time path-integral technique. Depending on which regime of parameters we are interested in, i.e. temperature and coupling strength with the reservoir, a few or several energy levels contribute to the dynamics. In particular, a two-level system (TLS) is first analyzed, corresponding to the regime where only the lowest doublet is energetically accessible. We discussed in the beginning the case of a TLS interacting with Ohmic and super-Ohmic baths and then the situation in which a symmetric TLS is assumed to be coupled with an external detector, like a dc-SQUID, the latter being coupled to an Ohmic environment. This model provides a better description of a real qubit, as frequently discussed in various experiments. In the former case, we developed a theory called Weakly-Interacting Blip Approximation (WIBA), which is nonperturbative in the coupling strength as well as in the tunneling frequency and gives reliable results over a wide range of temperatures and coupling strength to the thermal environment. In the latter case, the dynamics was evaluated upon starting from the Non-Interacting Blip Approximation (NIBA) and approximating the NIBA kernels up to first order in the detector-bath coupling strength. Analytical results, valid also at finite detuning, were obtained and we showed that our theory correctly reproduces the onset of multiple oscillation frequencies in the dynamics due to the entanglement between TLS and detector. Finally, we discussed the more general case of an M-level system coupled with an Ohmic environment. This situation describes the case of a bistable potential where the temperature is high enough that higher-lying energy levels are being populated and the system cannot be reduced to a simple TLS. Many are the experimental situations which can be described by our theory. We developed a novel approximation called Weakly-Interacting VR-Blip Approximation (VR-WIBA) for the dynamics in a driven dissipative bistable potential. In the regimes of low to moderate temperatures and coupling strengths, we exploited a separation of time scales between tunneling and vibrational relaxation events and we could derive analytical kernels for the intra- and inter-well dynamics.
The standard approach for path-integral Monte Carlo simulations of open quantum systems is extended as an efficient tool to monitor the time evolution of coherences (off-diagonal elements of the reduced density matrix) also for strong coupling to environments. Specific simulations are performed for two-level systems embedded in Ohmic and sub-Ohmic reservoirs in the domains of coherent and incoherent dynamics of the polarization. In the latter regime, the notorious difficulty to access the long-time regime is overcome by combining simulations on moderate time scales with iteratively calculated initial densities. This allows us to extract relaxation rates for sub-Ohmic environments at finite temperatures and over a broad range of couplings and to compare them to analytical predictions. The time evolution of the von Neumann entropy provides insight into the quantum phase transition at thermal equilibrium from a delocalized to a localized state at zero temperature.
Abstract We consider the thermal aspect of a system composed of two coupled harmonic oscillators and study the corresponding purity. We initially consider a situation where the system is brought to a canonical thermal equilibrium with a heat-bath at temperature T . We adopt the path integral approach and introduce the evolution operator to calculate the density matrix and subsequently the reduced matrix density. It is used to explicitly determine the purity in terms of different physical quantities and therefore study some limiting cases related to temperature as well as other parameters. Different numerical results are reported and discussed in terms of the involved parameters of our system.
In this work, we investigate the quantum coherence and purity in hydrogen atoms under dissipative dynamics, with a focus on the hyperfine structure states arising from the electron-proton spin interaction. Using the Lindblad master equation, we model the time evolution of the density matrix of the system, incorporating both the unitary dynamics driven by the hyperfine Hamiltonian and the dissipative effects due to environmental interactions. Quantum coherence is quantified using the L1 norm and relative entropy measures, while purity is assessed via von Neumann entropy, for initial states, including a maximally entangled Bell state and a separable state. Our results reveal distinct dynamics: for the Bell states, both coherence and purity decay exponentially with a rate proportional to the dissipation parameter, whereas for a kind of separable state, coherence exhibits oscillatory behavior modulated via the hyperfine coupling constant, superimposed on an exponential decay, and accompanied by a steady increase in entropy. Higher dissipation rates accelerate the loss of coherence and the growth of von Neumann entropy, underscoring the environment's role in suppressing quantum superposition and driving the system towards mixed states. These findings enhance our understanding of coherence and purity preservation in atomic systems and offer insights for quantum information applications where robustness against dissipation is critical.