Changing some of its parameters over time is a paradigmatic way of driving an otherwise isolated many-body quantum system out of equilibrium, and a vital ingredient for building quantum computers and simulators. Here, we further develop a recently proposed nonlinear response theory which is based on typicality and random-matrix methods, and which is applicable to a wide variety of such parametrically perturbed systems in and out of equilibrium: We derive analytical approximations of the characteristic response function for the two limiting cases of fast driving and of strong and short-ranged-in-energy driving. Furthermore, we work out implications and predictions for common applications, including finite-time quenches and time-dependent forcing that breaks conservation laws of the underlying undriven system. Finally, we verify all predictions by numerical examples and discuss the theory's scope and limitations. Published by the American Physical Society 2024
Changing some of its parameters over time is a paradigmatic way of driving an otherwise isolated many-body quantum system out of equilibrium, and a vital ingredient for building quantum computers and simulators. Here, we further develop a recently proposed nonlinear response theory which is based on typicality and random-matrix methods, and which is applicable to a wide variety of such parametrically perturbed systems in and out of equilibrium: We derive analytical approximations of the characteristic response function for the two limiting cases of fast driving and of strong and short-ranged-in-energy driving. Furthermore, we work out implications and predictions for common applications, including finite-time quenches and time-dependent forcing that breaks conservation laws of the underlying undriven system. Finally, we verify all predictions by numerical examples and discuss the theory's scope and limitations. Published by the American Physical Society 2024
Abstract We substantially extend our relaxation theory for perturbed many-body quantum systems from ((2020) Phys. Rev. Lett. 124 120602) by establishing an analytical prediction for the time-dependent observable expectation values which depends on only two characteristic parameters of the perturbation operator: its overall strength and its range or band width. Compared to the previous theory, a significantly larger range of perturbation strengths is covered. The results are obtained within a typicality framework by solving the pertinent random matrix problem exactly for a certain class of banded perturbations and by demonstrating the (approximative) universality of these solutions, which allows us to adopt them to considerably more general classes of perturbations. We also verify the prediction by comparison with several numerical examples.
A key goal of quantum chaos is to establish a relationship between widely observed universal spectral fluctuations of clean quantum systems and random matrix theory (RMT). Most prominent features of such RMT behavior with respect to a random spectrum, both encompassed in the spectral pair correlation function, are statistical suppression of small level spacings (correlation hole) and enhanced stiffness of the spectrum at large spectral ranges. For single-particle systems with fully chaotic classical counterparts, the problem has been partly solved by Berry [Proc. R. Soc. A 400, 229 (1985)] within the so-called diagonal approximation of semiclassical periodic-orbit sums, while the derivation of the full RMT spectral form factor K(t) (Fourier transform of the spectral pair correlation function) from semiclassics has been completed by Müller et al. [Phys. Rev. Lett. 93, 014103 (2004)]. In recent years, the questions of long-time dynamics at high energies, for which the full many-body energy spectrum becomes relevant, are coming to the forefront even for simple many-body quantum systems, such as locally interacting spin chains. Such systems display two universal types of behaviour which are termed the "many-body localized phase" and "ergodic phase." In the ergodic phase, the spectral fluctuations are excellently described by RMT, even for very simple interactions and in the absence of any external source of disorder. Here we provide a clear theoretical explanation for these observations. We compute K(t) in the leading two orders in t and show its agreement with RMT for nonintegrable, time-reversal invariant many-body systems without classical counterparts, a generic example of which are Ising spin-1/2 models in a periodically kicking transverse field. In particular, we relate K(t) to partition functions of a class of twisted classical Ising models on a ring of size t; hence, the leading-order RMT behavior K(t)≃2t is a consequence of translation and reflection symmetry of the Ising partition function.Received 5 February 2018Revised 12 April 2018DOI:https://doi.org/10.1103/PhysRevX.8.021062Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.Published by the American Physical SocietyPhysics Subject Headings (PhySH)Research AreasQuantum chaosQuantum statistical mechanicsStatistical PhysicsNonlinear DynamicsCondensed Matter, Materials & Applied Physics
The problem of quantum dynamics in open systems has gained attention in recent decades and not the least due to the advances made in quantum transport in molecular systems. The main motivation behind quantum transport and molecular electronics is the futuristic goal to be able at some point to replace, or to complement, the silicon-based technology and to make the electronic devices faster. On a fundamental level, one has to deal with time-dependent processes where electron-electron or electron- phonon interactions are of great importance, and they can cause profound quantitative and qualitative changes on the physical and dynamical properties of electronic systems compared to the non-interacting case. Most of the studies of quantum transport have been focused on the steady-state description while neglecting the short-time dynamics. However, the dynamical effects are of great importance since fast- switching processes play a pivotal role in the operation of future devices. We studied the problem of time-dependent electron transport through the Anderson impurity model by using many-body perturbation theory (MBPT) together with Keldysh Green’s functions as well as with time-dependent density functional theory (TDDFT). These methods were compared with numerically exact time-dependent density-matrix renormalization group (tDMRG) method. We found that the many-body perturbation theory results beyond Hartree-Fock approximation were in close agreement with tDMRG results. In addition we studied the possibility of multistablity in the density and current of an interacting nanoscale junction as well as how to reversibly switch between the multiple solutions in time domain. An accurate theoretical treatment of electron correlation even in as simple model as an interacting electron gas at metallic densities still continues to be a challenge; especially description of features in the photoemission spectra due to electron correlations provides a theoretical challenge. The many-body perturbation theory yields a systematic way to study electron-electron (electron-phonon) correlations in various systems. One of the widely used approximations in MBPT is the GW approximation in which the bare interaction line is replaced with screened interaction line in the first order exchange diagram. The GW approximation gives good estimates for the band gap values close to experimental ones but especially the self-consistent GW approximation has a number of deficiencies like washing out of plasmon features and overestimation of bandwidths compared to experiment. One way to improve GW calculations is to include vertex corrections. Unfortunately, the straightforward inclusion of vertex corrections yields negative spectra in some frequency regions. We developed a diagrammatic approach to construct self-energy approximations with positive spectral properties. Our approach consists of expressing a self-energy of response diagram as a product of half-diagrams after which a minimal set of additional diagrams is identified to construct a perfect square. We applied this method to study vertex corrections in a homogeneous electron gas. In addition we analyzed the diagrammatic content of photocurrent with density functional theory. The expression for the photocurrent was obtained as an integral over the Kohn-Sham spectral function renormalized by effective potentials that depend on the exchange correlation kernel of current density functional theory. The expression for the photocurrent gives us the angular dependence of the photocurrent but it does not provide a direct access to the kinetic energy distribution of the photoelectrons.
Quasiparticles are fundamental in describing the complex many-body interactions underlying single-particle excitations, playing a key role in understanding the macroscopic properties of quantum materials. Recent advancements in ultrafast laser technology, combined with various detection methods, have enabled precise monitoring and manipulation of quantum states and their dynamic processes. These developments not only enhance our comprehension of quasiparticle excitation mechanisms but also facilitate driving materials into non-equilibrium states, uncovering novel physical phenomena and advancing the design and application of innovative functional materials. The computational approach based on real-time time-dependent density functional theory (rt-TDDFT) transcends the limitations of linear response theory, enabling first-principles simulations of the dynamic response of strongly coupled quasiparticles under non-equilibrium conditions. The proposed method provides accurate predictions of highly nonlinear phenomena induced by strong laser fields, offering deeper insights into the underlying physical mechanisms. These theoretical insights are crucial for optimizing the performance of optoelectronic devices. This paper introduces the theoretical foundations of Ehrenfest dynamics within the framework of rt-TDDFT and presents case studies on the evolution of various quasiparticles under laser excitation. The results demonstrate the significant potential of ultrafast lasers for probing and controlling the properties of quantum materials, while also underscoring the vital role of dynamic simulations for studying non-equilibrium states and their time-domain characteristics.
Experimental advances have made it possible to realize and control quantum many-body systems, allowing the experimental study of non-equilibrium phenomena. Due to the Hilbert space growing exponentially with the number of particles, advanced numerical techniques are usually required to understand many-body effects at the theoretical level. In this thesis, we address the question of how to efficiently simulate the non-equilibrium dynamics of many-body systems using matrix product states (MPS). In particular, we consider quantum systems in interaction with macroscopic environments, as they appear in Anderson impurity problems, quantum thermodynamics, or open quantum systems. We develop a low-entanglement representation of the environment with only short-range interactions, perfectly suitable for simulations with MPS. We further show that an interleaved ordering of tight-binding chains can significantly reduce the creation of entanglement, as opposed to an intuitive implementation of the Hamiltonian's geometry. Our approach allows long-time simulations and an analysis of the environmental dynamics, in which, after a sudden quench, we find clear signatures of many-body effects. We employ our techniques to compute spectral functions of impurity models, with possible applications to dynamical mean-field theory impurity solvers, and to calculate dissipation in the non-equilibrium Anderson model with explicit time-dependence, as relevant for ongoing experiments with oscillating tip atomic force microscopes.
Despite the exponentially large amount of information required in the quantum description of many-body systems, finite size numerical simulations have paved the way for recent progress in the understanding of quantum phases of matter both in and out-of-equilibrium. \n \nIn this spirit, using exact diagonalization for a small number of spins ~ 20, first, we investigate the fate of both ergodic quantum many-body systems that thermalize at long times and systems with quenched disorder that exhibit many-body localization (MBL) and fail to thermalize (due to an extensive set of local conserved degrees of freedom) under periodic driving. Ergodic systems always delocalize in energy space and heat up to infinite temperature, for both local driving, in which the time dependence of the Hamiltonian is restricted to a few contiguous degrees of freedom, and global driving. On the other hand, MBL systems remain localized at finite energy density for local driving, while in the case of global driving these systems can either heat up to infinite temperature or remain localized depending on the parameters of the drive. Underlying the latter is the emergence of an effective time independent MBL Hamiltonian describing the long time dynamics of the system. These numerical predictions have recently been verified experimentally in a one dimensional quasi-disordered optical lattice of interacting fermions wherein unitary time evolution can be experimentally probed. \n \nSubsequently, we study the stability of MBL systems with respect to another perturbation, in this case by thermal inclusions, which remains poorly understood. We consider a simple model to address this question: a two level system interacting with 𝑁 localized bits subject to random fields. In the large 𝑁 limit, the localized bits are thermalized for any nonzero ratio of interactions to disorder strength. Moreover, at finite 𝑁, in the transition region, the single-site eigenstate entanglement entropies exhibit bimodal distributions, so that localized bits are either "on" (strongly entangled) or "off" (weakly entangled) in eigenstates. The clusters of "on" bits vary significantly between eigenstates of the same sample, which provides evidence for a heterogenous discontinuous transition out of the localized phase in single site observables. These results also imply the MBL phase is unstable in systems with short-range interactions and quenched randomness in dimensions 𝑑 that are high but finite. \n \nThe second part of this thesis is motivated by the recent breakthroughs of artificial intelligence in domains such as computer vision involving highly dimensional data of complexity not unlike the one found in the description of many-body systems. Using Monte Carlo simulations to generate synthetic data, we find that kernel methods, a class of machine learning algorithms, can learn the mathematical \nform of physical discriminators associated with phase transitions, such as order parameters and Hamiltonian constraints, for a set of two dimensional spin models: the ferromagnetic Ising model, a conserved-order-parameter Ising model, and the Ising gauge theory. \n \nOur work shows that the combination of numerical simulations with the ability of machine learning algorithms for automatic feature detection hold promise to become standard tools in the exploration and characterization of different phases of matter in condensed matter and other many-body systems.