By means of a trial wave function, the multi-D$_1$ ansatz, extensive variational calculations with more than ten thousand parameters have been carried out to study quantum phase transitions in the ground states of a two-impurity system embedded in a common Ohmic bath of bosons. Quantum criticality in both the impurity system and the Ohmic bosonic bath is investigated with relevant transition points and critical exponents determined accurately. With the linear grid of the Ohmic spectral density, our numerical calculations produce a much better description of the ground states with lower energies than other calculations employing a logarithmic grid with a discretization factor far greater than unity. It offers a possible solution to the considerable controversy on the critical coupling in the literature. Moreover, the ground-state phase transition is inferred to be of first order in the presence of strong antiferromagnetic spin-spin couplin}, at variance with that in the ferromagnetic regime or in the absence of spin-spin coupling where the transition belongs to the Kosterlitz-Thouless universality class.
By employing the spin-boson model in a dense limit of environmental modes, quantum entanglement and correlation of sub-Ohmic and Ohmic baths for dissipative quantum phase transitions are numerically investigated based on the variational principle. With several measures borrowed from quantum information theory, three different types of singularities are found for the first-order, second-order, and Kosterlitz-Thouless phase transitions, respectively, and the values of transition points and critical exponents are accurately determined. Besides, the scaling form of the quantum discord in the Ohmic…
The spin-boson model is studied by means of flow equations for Hamiltonians. Our truncation scheme includes all coupling terms which are linear in the bosonic operators. Starting with the canonical generator $η_c=[H_0,H]$ with $H_0$ resembling the non-interacting bosonic bath, the flow equations exhibit a universal attractor for the Hamiltonian flow. This allows to calculate equilibrium correlation functions for super-Ohmic, Ohmic and sub-Ohmic baths within a uniform framework including finite bias.
An approach based on a non-Markovian time-convolutionless polaron master equation is used to probe the quantum dynamics of a chromophore-qubit in a super-Ohmic bath. Utilizing a measure of non-Markovianity based on dynamical fixed points, we study the effects of the environment temperature and the coupling strength on the non-Markovian behavior of the chromophore in a super-Ohmic bath. It is found that an increase in the temperature results in a reduction in the backflow information from the environment to the chromophore, and therefore, a suppression of non-Markovianity. In the weak coupling …
Study of dissipative quantum phase transitions in the Ohmic spin-boson model is numerically challenging in a dense limit of environmental modes. In this work, large-scale numerical simulations are carried out based on the variational principle. The validity of variational calculations, spontaneous breakdown of symmetries, and quantum fluctuations and correlations in the Ohmic bath are carefully analyzed, and the critical coupling as well as exponents are accurately determined in the weak tunneling and continuum limits. In addition, quantum criticality of the Ohmic bath is uncovered both in the…
We study the Hamiltonian motion of an ensemble of unconfined classical particles driven by an external field F through a translationally-invariant, thermal array of monochromatic Einstein oscillators. The system does not sustain a stationary state, because the oscillators cannot effectively absorb the energy of high speed particles. We nonetheless show that the system has at all positive temperatures a well-defined low-field mobility over macroscopic time scales of order exp(-c/F). The mobility is independent of F at low fields, and related to the zero-field diffusion constant D through the Ei…
The motion of a free quantum particle in a thermal environment is usually described by the quantum Langevin equation, where the effect of the bath is encoded through a dissipative and a noise term, related to each other via the fluctuation dissipation theorem. The quantum Langevin equation can be derived starting from a microscopic model of the thermal bath as an infinite collection of harmonic oscillators prepared in an initial equilibrium state. The spectral properties of the bath oscillators and their coupling to the particle determine the specific form of the dissipation and noise. Here we…
When constructing a Wilson chain to represent a quantum impurity model, the effects of truncated bath modes are neglected. We show that their influence can be kept track of systematically by constructing an "open Wilson chain" in which each site is coupled to a separate effective bath of its own. As a first application, we use the method to cure the so-called mass-flow problem that can arise when using standard Wilson chains to treat impurity models with asymmetric bath spectral functions at finite temperature. We demonstrate this for the strongly sub-Ohmic spin-boson model at quantum critical…
We show that the low-frequency modes of a sub-Ohmic bosonic heat bath generate an effective dynamical asymmetry for an intrinsically symmetric quantum spin -1/2. An initially fully polarized spin first decays towards a quasiequilibrium determined by the dynamical asymmetry, thereby showing coherent damped oscillations on the (fast) time scale of the spin splitting. On top of this, the dynamical asymmetry itself decays on an ultraslow time scale and vanishes asymptotically since the global equilibrium phase is symmetric. We quantitatively study the nature of the initial fast decay to the quasie…
The fluctuation theorem, where the central quantity is the work distribution, is an important characterization of nonequilibrium thermodynamics. In this work, based on the dissipaton-equation-of-motion theory, we develop an exact method to evaluate the work distributions in quantum impurity system-bath mixing processes, in the presence of non-Markovian and strong couplings. Our results not only precisely reproduce the Jarzynski equality and Crooks relation, but also reveal rich information on large deviation. The numerical demonstrations are carried out with a spin-boson model system.
We propose a nonequilibrium variational polaron transformation, based on an ansatz for nonequilibrium steady state (NESS) with an effective temperature, to study quantum heat transport at the nanoscale. By combining the variational polaron transformed master equation with the full counting statistics, we have extended the applicability of the polaron-based framework to study nonequilibrium process beyond the super-Ohmic bath models. Previously, the polaron-based framework for quantum heat transport reduces exactly to the non-interacting blip approximation (NIBA) formalism for Ohmic bath models…
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 …
We discuss a particular source of error in the Numerical Renormalization Group (NRG) method for quantum impurity problems, which is related to a renormalization of impurity parameters due to the bath propagator. At any step of the NRG calculation, this renormalization is only partially taken into account, leading to systematic variation of the impurity parameters along the flow. This effect can cause qualitatively incorrect results when studying quantum critical phenomena, as it leads to an implicit variation of the phase transition's control parameter as function of the temperature and thus t…
Small systems (of interest in the areas of nanophysics, quantum information, etc.) are particularly vulnerable to environmental effects. Thus, we determine various thermodynamic functions for an oscillator in an arbitrary heat bath at arbitrary temperatures. Explicit results are presented for the most commonly discussed heat bath models: Ohmic, single relaxation time and blackbody radiation.
The deep sub-Ohmic spin-boson model shows a longstanding non-Markovian coherence at low temperature. Motivating to quench this robust coherence, the thermal effect is unitarily incorporated into the time evolution of the model, which is calculated by the adaptive time-dependent density matrix renormalization group algorithm combined with the orthogonal polynomials theory. Via introducing a unitary heating operator to the bosonic bath, the bath is heated up so that a majority portion of the bosonic excited states is occupied. It is found in this situation the coherence of the spin is quickly qu…
We propose a general extended coherent state approach to the qubit (or fermion) and multi-mode boson coupling systems. The application to the spin-boson model with the discretization of a bosonic bath with arbitrary continuous spectral density is described in detail, and very accurate solutions can be obtained. The quantum phase transition in the nontrivial sub-Ohmic case can be located by the fidelity and the order-parameter critical exponents for the bath exponents $s<1/2$ can be correctly given by the fidelity susceptibility, demonstrating the strength of the approach.
By employing the variational approach, density matrix renormalization group (DMRG), exact diagonalization as well as symmetry and mean-field analyses, the ground state properties of the two-bath spin boson model with simultaneous diagonal and off-diagonal coupling are systematically studied in the sub-Ohmic regime. A novel quantum phase transition from a doubly degenerate "localized phase" to the other doubly degenerate "delocalized phase" is uncovered. Via the multi-D1 ansatz as the variational wave function, transition points are determined accurately, consistent with the results from DMRG a…
We present a detailed description of the recently proposed numerical renormalization group method for models of quantum impurities coupled to a bosonic bath. Specifically, the method is applied to the spin-boson model, both in the Ohmic and sub-Ohmic cases. We present various results for static as well as dynamic quantities and discuss details of the numerical implementation, e.g., the discretization of a bosonic bath with arbitrary continuous spectral density, the suitable choice of a finite basis in the bosonic Hilbert space, and questions of convergence w.r.t. truncation parameters. The met…
By means of time-dependent density-matrix renormalization-group (TDMRG) we are able to follow the real-time dynamics of a single impurity embedded in a one-dimensional bath of interacting bosons. We focus on the impurity breathing mode, which is found to be well-described by a single oscillation frequency and a damping rate. If the impurity is very weakly coupled to the bath, a Luttinger-liquid description is valid and the impurity suffers an Abraham-Lorentz radiation-reaction friction. For a large portion of the explored parameter space, the TDMRG results fall well beyond the Luttinger-liquid…
We study the Quantum Brownian motion of a charged particle moving in a harmonic potential in the presence of an uniform external magnetic field and linearly coupled to an Ohmic bath through momentum variables. We analyse the growth of the mean square displacement of the particle in the classical high temperature domain and in the quantum low temperature domain dominated by zero point fluctuations. We also analyse the Position Response Function and the long time tails of various correlation functions. We notice some distinctive features, different from the usual case of a charged quantum Browni…
We propose a general numerical approach to open quantum systems with a coupling to bath degrees of freedom. The technique combines the methodology of polynomial expansions of spectral functions with the sparse grid concept from interpolation theory. Thereby we construct a Hilbert space of moderate dimension to represent the bath degrees of freedom, which allows us to perform highly accurate and efficient calculations of static, spectral and dynamic quantities using standard exact diagonalization algorithms. The strength of the approach is demonstrated for the phase transition, critical behavio…
We derive a quantum Langevin equation for a quantum spin in the presence of a magnetic field and study its dynamics in the Markovian limit using the Ohmic bath model. We extend our analysis to the Drude bath with a finite memory. We study the time evolution of the expectation values of the magnetic moments. The spin auto-correlation functions exhibit a damped oscillatory behaviour with the randomization time being determined by the damping rate and also the memory time for the Drude bath model. We also analyse the spin response function of the system for the Ohmic bath model. Our results are c…
The Davydov D1 ansatz, which assigns an individual bosonic trajectory to each spin state, is an efficient, yet extremely accurate trial state for time-dependent variation of the sub-Ohmic spin-boson model [J. Chem. Phys. 138, 084111 (2013)]. A surface hopping algorithm is developed employing the Davydov D1 ansatz to study the spin dynamics with a sub-Ohmic bosonic bath. The algorithm takes into account both coherent and incoherent dynamics of the population evolution in a unified manner, and compared with semiclassical surface hopping algorithms, hopping rates calculated in this work follow mo…
A continuous time cluster algorithm for two-level systems coupled to a dissipative bosonic bath is presented and applied to the sub-ohmic spin-Boson model. When the power s of the spectral function J(w) \propto w^s is smaller than 1/2, the critical exponents are found to be classical, mean-field like. Potential sources for the discrepancy with recent renormalization group predictions are traced back to the effect of a dangerously irrelevant variable.
Employing the non-perturbative numerical renormalization group method, we study the dynamics of the spin-boson model, which describes a two-level system coupled to a bosonic bath with spectral density J(omega) propto omega^s. We show that, in contrast to the case of ohmic damping, the delocalized phase of the sub-ohmic model cannot be characterized by a single energy scale only, due to the presence of a non-trivial quantum phase transition. In the strongly sub-ohmic regime, s<<1, weakly damped coherent oscillations on short time scales are possible even in the localized phase - this is of cruc…
We review recent work on continuous quantum phase transitions in impurity models, both with fermionic and bosonic baths - these transitions are interesting realizations of boundary critical phenomena at zero temperature. The models with fermion bath are generalizations of the standard Kondo model, with the common feature that Kondo screening of the localized spin can be suppressed due to competing processes. The models with boson bath are related to the spin-boson model of dissipative two-level systems, where the interplay between tunneling and friction results in multiple phases. The competit…
Quantum embedding theories provide a feasible route for obtaining quantitative descriptions of correlated materials. However, a critical challenge is solving an effective impurity model of correlated orbitals embedded in an electron bath. Many advanced impurity solvers require the approximation of a bath continuum using a finite number of bath levels, producing a highly nonconvex, ill-conditioned inverse problem. To address this drawback, this study proposes an efficient fitting algorithm for matrix-valued hybridization functions based on a data-science approach, sparse modeling, and a compact…
Spin-orbit coupling (SOC), which is inherent to a Dirac particle that moves under the influence of electromagnetic fields, manifests itself in a variety of physical systems including non-relativistic ones. For instance, it plays an essential role in spintronics developed in the past few decades, particularly by controlling spin current generation and relaxation. In the present work, by using an extended Caldeira-Leggett model, we elucidate how the interplay between spin relaxation and momentum dissipation of an open system of a single spin-$1/2$ particle with a Rashba type SOC is induced by th…
We investigate the dynamics of a large anisotropic spin whose easy-axis component is coupled to a bosonic bath with a spectral function $J(\w)\propto ω^s$. Such a spin complex might be realized in a single-molecular magnet. Using the non-perturbative renormalization group, we calculate the line of quantum-phase transitions in the sub-ohmic regime ($s<1$). These quantum-phase transitions only occur for integer spin $J$. For half-integer $J$, the low temperature fixed-point is identical to the fixed-point of the spin-boson model without quantum-tunneling between the two levels. Short-time cohere…
The application of Wilson's Numerical Renormalization Group (NRG) method to dissipative quantum impurity models, in particular the sub-ohmic spin-boson model, has led to conclusions regarding the quantum critical behavior which are in disagreement with those from other methods and which are by now recognized as erroneous. The errors of NRG remained initially undetected because NRG delivered an internally consistent set of critical exponents satisfying hyperscaling. Here we discuss how the conspiracy of two errors - the Hilbert-space truncation error and the mass-flow error - could lead to this…
We investigate quantum impurity problems, where a local magnetic moment is coupled to the spin density of a bosonic environment, leading to bosonic versions of the standard Kondo and Anderson impurity models. In a physical situation, these bosonic environments can correspond either to deconfined spinons in certain classes of Z_2 frustrated antiferromagnets, or to particles in a multicomponent Bose gase (in which case the spin degree of freedom is attributed to hyperfine levels). Using renormalization group techniques, we establish that our impurity models, which feature an exchange interaction…
We study the spin-boson model without the counterrotating terms by a numerically exact method based on variational matrix product states. Surprisingly, the second-order quantum phase transition (QPT) is observed for the sub-Ohmic bath in the rotating-wave approximations. Moreover, first-order QPTs can also appear before the critical points. With the decrease of the bath exponents, these first-order QPTs disappear successively, while the second-order QPT remains robust. The second-order QPT is further confirmed by multi-coherent-states variational studies, while the first-order QPT is corrobora…
A versatile and efficient variational approach is developed to solve in- and out-of-equilibrium problems of generic quantum spin-impurity systems. Employing the discrete symmetry hidden in spin-impurity models, we present a new canonical transformation that completely decouples the impurity and bath degrees of freedom. Combining it with Gaussian states, we present a family of many-body states to efficiently encode nontrivial impurity-bath correlations. We demonstrate its successful application to the anisotropic and two-lead Kondo models by studying their spatiotemporal dynamics and universal …
We report new results related to the two-time dynamics of the coordinate of a quantum free particle, damped through its interaction with a fractal thermal bath (non-ohmic coupling $\simω^δ$ with $0<δ<1$ or $1<δ<2)$. When the particle is localized, its position does not age. When it undergoes anomalous diffusion, only its displacement may be defined. It is shown to be an aging variable. The finite temperature aging regime is self-similar. It is described by a scaling function of the ratio ${t_w/τ}$ of the waiting time to the observation time, as characterized by an exponent directly linked to $…
The Kondo effect is an ubiquitous phenomenon appearing at low temperature in quantum confined systems coupled to a continuous bath. Efforts in understanding and controlling it have triggered important developments across several disciplines of condensed matter physics. A recurring pattern in these studies is that the suppression of the Kondo effect often results in intriguing physical phenomena such as impurity quantum phase transitions or non-Fermi-liquid behavior. We show that the fidelity susceptibility is a sensitive indicator for such phenomena because it quantifies the sensitivity of the…
