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arXiv:1607.00222 · Physical review. B./Physical review. B

Path-integral description of combined Hamiltonian and non-Hamiltonian dynamics in quantum dissipative systems

A. M. Barth, Alexei Vagov, V. M. Axt

Published Sep 26, 2016• 41 citations
arXivHTMLPDF

Abstract

We present a numerical path-integral iteration scheme for the low-dimensional reduced density matrix of a time-dependent quantum dissipative system. Our approach simultaneously accounts for the combined action of a microscopically modeled pure-dephasing-type coupling to a continuum of harmonic oscillators representing, e.g., phonons, and further environmental interactions inducing non-Hamiltonian dynamics in the inner system represented, e.g., by Lindblad-type dissipation or relaxation. Our formulation of the path-integral method allows for a numerically exact treatment of the coupling to the oscillator modes and moreover is general enough to provide a natural way to include Markovian processes that are sufficiently described by rate equations. We apply this new formalism to a model of a single semiconductor quantum dot which includes the coupling to longitudinal acoustic phonons for two cases: (a) external laser excitation taking into account a phenomenological radiative decay of the excited dot state and (b) a coupling of the quantum dot to a single mode of an optical cavity taking into account cavity photon losses.

DOI
10.1103/physrevb.94.125439

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We present a numerical path-integral iteration scheme for the low-dimensional reduced density matrix of a time-dependent quantum dissipative system. Our approach simultaneously accounts for the combined action of a microscopically modeled pure-dephasing-type coupling to a continuum of harmonic oscillators representing, e.g., phonons, and further environmental interactions inducing non-Hamiltonian dynamics in the inner system represented, e.g., by Lindblad-type dissipation or relaxation. Our formulation of the path-integral method allows for a numerically exact treatment of the coupling to the oscillator modes and moreover is general enough to provide a natural way to include Markovian processes that are sufficiently described by rate equations. We apply this new formalism to a model of a single semiconductor quantum dot which includes the coupling to longitudinal acoustic phonons for two cases: (a) external laser excitation taking into account a phenomenological radiative decay of the excited dot state and (b) a coupling of the quantum dot to a single mode of an optical cavity taking into account cavity photon losses.
A dissipative quantum dot (QD)-cavity system, where the QD is initially prepared in the excited state with no photon in the cavity, coupled to a longitudinal acoustic (LA) phonon reservoir is studied using a numerically exact real-time path-integral approach. Three distinct dynamical regimes of weak (WC), strong (SC), and coherent coupling (CC) are discussed and more accurate conditions identifying them are presented. Our results show that to have the CC regime, which is characterized by clear vacuum Rabi oscillation (VRO), vacuum Rabi splitting (VRS) should be larger than the sum of the widths of the corresponding peaks. In order to distinguish between contributions of population decay and impure dephasing, induced by LA phonon bath and the dissipations, we propose a two-part phenomenological expression, corresponding to the population decay and impure dephasing, which fits the QD-cavity decay curves perfectly and is used to calculate the corresponding spectra. We demonstrate that the effective population decay rate (the emission rate) increases from the carrier recombination rate to a maximum value, which is the mean of the QD and cavity dissipation rates, with QD-cavity coupling strength. To study the role of the effective impure dephasing rate on the width of the central peak of the spectra we introduce a quantity that can also be applied in determining the distinct coupling regimes. This quantity enables us to identify the onset of the SC regime as the point where the impure dephasing term begins to contribute to the central band of the spectrum significantly, as a result of the existence of VRO with a very small frequency (unclear VRO) at the corresponding decay curve. Its contribution to the width of the central peak increases with the coupling strength up to the onset of the CC regime, then reduces as a result of the appearance of sidebands in the spectra, which originates from clear VRO. The effective population decay and impure dephasing rate contribute solely to the width-of the central and sideband peaks of the triplet spectra respectively-only beyond a very large coupling strength which is the same across the considered temperature range. For higher temperatures, the maximum achievable emission rate can be obtained at larger coupling strengths.
In this thesis the path integral formalism is applied to the calculation of the dynamics of dissipative quantum systems. The time evolution of a system of bilinearly coupled bosonic modes is treated using the real-time path integral technique in coherent-state representation. This method is applied to a damped harmonic oscillator within the Caldeira-Leggett model. In order to get the stationary trajectories the corresponding Lagrangian function is diagonalized and then the path integrals are evaluated by means of the stationary-phase method. The time evolution of the reduced density matrix in the basis of coherent states is given in simple analytic form for weak system-bath coupling, i.e. the so-called rotating-wave terms can be evaluated exactly but the non-rotating-wave terms only in a perturbative manner. The validity range of the rotating-wave approximation is discussed from the viewpoint of spectral equations. In addition, it is shown that systems without initial system-bath correlations can exhibit initial jumps in the population dynamics even for rather weak dissipation. Only with initial correlations the classical trajectories for the system coordinate can be recovered. The path integral formalism in a combined phase-space and coherent-state representation is applied to the problem of curve-crossing dynamics. The system of interest is described by two coupled one-dimensional harmonic potential energy surfaces interacting with a heat bath. The mapping approach is used to rewrite the Lagrangian function of the electronic part of the system. Using the Feynman-Vernon influence-functional method the bath is eliminated whereas the non-Gaussian part of the path integral is treated using the perturbation theory in the small coordinate shift between potential energy surfaces. The vibrational and the population dynamics is considered in a lowest order of the perturbation. The dynamics of a Gaussian wave packet is analyzed along a one-dimensional reaction coordinate. Also the damping rate of coherence in the electronic part of the relevant system is evaluated within the ordinary and variational perturbation theory. The analytic expressions for the rate functions are obtained in the low and high temperature regimes.
We propose a numerical technique based on a combination of short-iterative Lanczos and exact diagonalization methods, suitable for simulating the time evolution of the reduced density matrix of a single qubit interacting with an environment. By choosing a mode discretization method and a flexible bath states truncation scheme, we are able to include in the physical description multiple-excitation processes, beyond weak coupling and Markov approximations. We apply our technique to the simulation of three different model Hamiltonians, which are relevant in the field of adiabatic quantum computation. We compare our results with those obtained on the basis of the widely used Lindblad master equation, as well as with well-known exact and approximated approaches. We show that our method is able to recover the thermodynamic behavior of the qubit-bath system, beyond the Born-Markov approximation. Finally, we show that even in the case of the adiabatic quantum annealing of a single qubit the bath can be beneficial in reaching the reduced system ground state.
We develop an exact analytical framework for studying the nonequilibrium dynamics of interacting quantum harmonic oscillators coupled to a modelled thermal reservoir and driven by external classical fields. The total Hamiltonian is diagonalized via successive Bogoliubov transformations, enabling a nonperturbative treatment of dissipation and driving. For two coupled oscillators with an external source applied to the first, we derive explicit energy expressions and analyze their dependence on coupling and bath parameters. The phase-space structure is characterized through Husimi QQQ-functions for initial separable coherent and number states. We obtain the reduced density matrix elements in the number-state basis and demonstrate that, in the absence of driving and at zero temperature, the reduced density matrix of the main system satisfies the Lindblad master equation. A generating function for the Husimi function is introduced to facilitate computation of higher-order correlations. The analysis is then generalized to nnn interacting oscillators, with analytical energy expressions provided and the case n=3n=3n=3 examined in detail. Our results establish a versatile and exact framework for driven-dissipative quantum systems, with potential applications in quantum thermodynamics, open quantum systems, and many-body physics.
The reduced density matrix of a system coupled to a harmonic dissipative bath can be obtained accurately using an iterative path integral methodology that involves a propagator tensor, whose rank is roughly equal to the number of time steps that span the bath-induced memory. The present work shows that even in situations where the bath is characterized by high-frequency modes (which necessitate a small time step) and slow oscillators (which give rise to very long memory), efficient propagation that takes into account the memory on all time scales is feasible by renormalizing the propagator matrix to include successively larger-length influence functional correlations. At its crudest level, the renormalized propagator is an ordinary matrix, thus the computational demands of the method are very modest, similar to those for propagating the bare system. Yet, test applications on dissipative two-level systems show that the method produces accurate results in demanding situations. By including memory on successively increasing time scales, the method is capable of capturing nonexponential kinetics induced by sluggish solvents.
Using the parametrically driven harmonic oscillator as a working example, we study two different Markovian approaches to the quantum dynamics of a periodically driven system with dissipation. In the simpler approach, the driving enters the master equation for the reduced density operator only in the Hamiltonian term. An improved master equation is achieved by treating the entire driven system within the Floquet formalism and coupling it to the reservoir as a whole. The different ensuing evolution equations are compared in various representations, particularly as Fokker-Planck equations for the Wigner function. On all levels of approximation, these evolution equations retain the periodicity of the driving, so that their solutions have Floquet form and represent eigenfunctions of a nonunitary propagator over a single period of the driving. We discuss asymptotic states in the long-time limit as well as the conservative and the high-temperature limits. Numerical results obtained within the different Markov approximations are compared with the exact path-integral solution. The application of the improved Floquet-Markov scheme becomes increasingly important when considering stronger driving and lower temperatures.