Mixed quantum-classical models are widely used to reduce the computational cost of fully quantum simulations. However, their general applicability across different classes of problems remains an open question. Here, we address this issue for systems featuring spin-orbit coupling. In particular, we study the interaction dynamics of quantum spin-1/2 and classical orbital momentum in one-dimensional models of Rashba nanowires. We tackle this problem by resorting to a new quantum-classical Hamiltonian model that, unlike conventional approaches, retains the Heisenberg principle and captures correlation effects beyond the common Ehrenfest method. Based on Koopman wavefunctions in classical mechanics, the new model was recently implemented numerically via a particle scheme -- the koopmon method -- which is extended here to treat spin-orbit coupling. We apply the koopmon method to study the quantum-classical dynamics of nanowire models, with and without the presence of a harmonic potential and in both Rashba-dominated (strong coupling) and Zeeman-dominated (weak coupling) regimes. Considering realistic semiconductor parameters, the results are contrasted with both fully quantum and quantum-classical Ehrenfest dynamics. In the absence of external potential, the koopmon method qualitatively reproduces the features of the fully quantum evolution for all coupling regimes. While it exhibits a slight loss in spin accuracy compared to Ehrenfest simulations, the latter fail to capture the orbital dynamics. In the presence of a harmonic potential, the koopmon scheme reproduces several features of full quantum dynamics with accuracy levels that are unachievable by the Ehrenfest model. We conclude by presenting a test case that exhibits the formation of cat-like states.
Comments
Third version, revised in response to the referees' comments. 35 pages, 18 figures
Mixed quantum-classical models are widely used to reduce the computational cost of fully quantum simulations. However, their general applicability across different classes of problems remains an open question. Here, we address this issue for systems featuring spin-orbit coupling. In particular, we study the interaction dynamics of quantum spin-1/2 and classical orbital momentum in one-dimensional models of Rashba nanowires. We tackle this problem by resorting to a new quantum-classical Hamiltonian model that, unlike conventional approaches, retains the Heisenberg principle and captures correlation effects beyond the common Ehrenfest method. Based on Koopman wavefunctions in classical mechanics, the new model was recently implemented numerically via a particle scheme -- the koopmon method -- which is extended here to treat spin-orbit coupling. We apply the koopmon method to study the quantum-classical dynamics of nanowire models, with and without the presence of a harmonic potential and in both Rashba-dominated (strong coupling) and Zeeman-dominated (weak coupling) regimes. Considering realistic semiconductor parameters, the results are contrasted with both fully quantum and quantum-classical Ehrenfest dynamics. In the absence of external potential, the koopmon method qualitatively reproduces the features of the fully quantum evolution for all coupling regimes. While it exhibits a slight loss in spin accuracy compared to Ehrenfest simulations, the latter fail to capture the orbital dynamics. In the presence of a harmonic potential, the koopmon scheme reproduces several features of full quantum dynamics with accuracy levels that are unachievable by the Ehrenfest model. We conclude by presenting a test case that exhibits the formation of cat-like states.
Abstract. In order to alleviate the computational costs of fully quantum nonadiabatic dynamics, we present a mixed quantum-classical (MQC) particle method based on the theory of Koopman wavefunctions. Although conventional MQC models often suffer from consistency issues such as the violation of Heisenberg’s principle, we overcame these difficulties by blending Koopman’s classical mechanics on Hilbert spaces with methods in symplectic geometry. The resulting continuum model enjoys both a variational and a Hamiltonian structure, while its nonlinear character calls for suitable closures. Benefiting from the underlying action principle, here we apply a regularization technique previously developed within our team. This step allows for a singular solution ansatz that introduces the trajectories of computational particles—the koopmons—sampling the Lagrangian classical paths in phase space. In the case of Tully’s nonadiabatic problems, the method reproduces the results of fully quantum simulations with levels of accuracy that are not achieved by standard MQC Ehrenfest simulations. In addition, the koopmon method is computationally advantageous over similar fully quantum approaches, which are also considered in our study. As a further step, we probe the limits of the method by considering the Rabi problem in both the ultrastrong and the deep strong coupling regimes, where MQC treatments appear hardly applicable. In this case, the method succeeds in reproducing parts of the fully quantum results.
Abstract We consider the dynamics of interacting quantum and classical systems in the Heisenberg representation. Unlike the usual construction in standard quantum mechanics, mixed quantum-classical systems involve the interplay of unitary operators acting on the quantum observables and the Lagrangian trajectories sweeping the classical degrees of freedom. This interplay reflects an intricate structure which is made particularly challenging by the backreaction excerpted on the classical trajectories by the quantum degrees of freedom. While the backreaction is underestimated in the common Ehrenfest model, more recent methodologies succeed in capturing this important effect by resorting to Koopman wavefunctions in classical mechanics. Luckily, both Ehrenfest and Koopman models enjoy a variational framework which is exploited here to unfold the geometric structure underlying quantum-classical coupling. A special role is played by the action of the diffeomorphic Lagrangian paths on a non-Abelian pure-gauge potential which comprises statistical correlations. After presenting the treatment in the simple case of Ehrenfest dynamics, we move on to the Koopman model and present the role of the backreaction terms therein. Finally, we compare both models in the context of pure-dephasing systems.
Abstract We consider the interaction dynamics of a classical oscillator and a quantum two-level system for different pure-dephasing Hamiltonians of the type H ˆ ( q , p ) = H C ( q , p ) 1 + H I ( q , p ) σ ˆ z . This type of systems represents a severe challenge for popular hybrid quantum–classical descriptions. For example, in the case of the common Ehrenfest model, the classical density evolution is shown to decouple entirely from the pure-dephasing quantum dynamics. We focus on a recently proposed hybrid wave equation that is based on Koopman’s wavefunction description of classical mechanics. This model retains quantum–classical correlations whenever a coupling potential is present. Here, several benchmark problems are considered and the results are compared with those arising from fully quantum dynamics. A good agreement is found for a series of study cases involving harmonic oscillators with linear and quadratic coupling, as well as time-varying coupling parameters. In all these cases the classical evolution coincides exactly with the oscillator dynamics resulting from the fully quantum description. In the special case of time-independent coupling involving a classical oscillator with varying frequency, the quantum Bloch rotation exhibits peculiar features that escape from the hybrid description. In addition, nonlinear corrections to the harmonic Hamiltonian lead to an overall growth of decoherence at long times, which is absent in the fully quantum treatment.
Mixed quantum-classical dynamics is a set of methods often used to understand systems too complex to treat fully quantum mechanically. Many techniques exist for full quantum mechanical evolution on quantum computers, but mixed quantum-classical dynamics are less explored. We present a modular algorithm for general mixed quantum-classical dynamics where the quantum subsystem is coupled with the classical subsystem. We test it on a modified Shin-Metiu model in the first quantization through Ehrenfest propagation. We find that the Time-Dependent Variational Time Propagation algorithm performs well for short-time evolutions and retains qualitative results for longer-time evolutions.
The dissertation explores the effects of synthetic spin-orbit coupling on the behaviour of quantum gases in several different contexts. We first study realistic methods to create vortices in spin-orbit-coupled (SOC) Bose-Einstein condensates (BEC). We propose two different methods to induce thermodynamically stable static vortex configurations: (1) to rotate both the Raman lasers and the anisotropic trap; and (2) to impose a synthetic Abelian field on top of synthetic spin-orbit interactions. We solve the Gross-Pitaevskii equation for several experimentally relevant regimes and find new interesting effects such as spatial separation of left- and right-moving spin-orbit-coupled condensates, and the appearance of unusual vortex arrangements. Next we consider cold atoms in an optical lattice with synthetic SOC in the Mott-insulator regime. We calculate the parameters of the corresponding tight-binding model and derive the low-energy spin Hamiltonian which is a combination of Heisenberg model, quantum compass model and Dzyaloshinskii-Moriya interaction. We find that the Hamiltonian supports a rich classical phase diagram with collinear, spiral and vortex phases. Next we study the time evolution of the magnetization in a Rashba spin-orbit-coupled Fermi gas, starting from a fully-polarized initial state. We model the dynamics using a Boltzmann equation, which we solve in the Hartree-Fock approximation. The resulting non-linear system of equations gives rise to three distinct dynamical regimes controlled by the ratio of interaction and spin-orbit-coupling strength λ: for small λ, the magnetization decays to zero. For intermediate λ, it displays undamped oscillations about zero and for large λ, a partially magnetized state is dynamically stabilized. Motivated by an interesting stripe phase which appears in BEC with SOC [Li et al., Phys. Rev. Lett. 108, 225301 (2011)], we study the finite-temperature phase diagram of a pseudospin-1/2 Bose gas with contact interactions. We show that strong inter-spin interactions can lead to the appearance of magnetically ordered phases at temperatures above the superfluid transition. For the case of inter-spin attraction, we also discuss the possibility of a bosonic analogue of the Cooper-paired phase, however this state is not energetically favourable. We extend our calculations to a spin-orbit-coupled Bose gas to investigate the possibility of stripe ordering in the normal phase. However, within our approximations, we do not find an instability towards stripe formation. Finally, we consider a two-dimensional Bose gas at zero temperature with an underlying quartic single-particle dispersion in one spatial direction. This Hamiltonian can be realized using the NIST scheme of spin-orbit coupling [Y.-J. Lin, K. Jimenez-Garcia, and I. B. Spielman, Nature 471, 83 (2011)], or using the shaken lattice scheme of Parker et al. [C. V. Parker, L.-C. Ha and C. Chin, Nature Physics 9, 769 (2013)]. By numerically comparing energies of various trial wave-functions, we show that, at low densities, the ground state is strongly correlated, in contrast to a typical mean-field BEC. The trial wave-function with the lowest energy is of Jastrow-type and it describes a state with finite, but strongly reduced, condensate fraction.
Spin-orbit coupling (SOC), which is inherent in a Dirac particle that moves under the influence of electromagnetic fields, manifests itself in a variety of physical systems, including nonrelativistic 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-21 particle with Rashba-type SOC is induced by the interactions with a spinless, three-dimensional environment. Staring from the path-integral formulation for the reduced density matrix of the system, we have derived a set of coupled nonlinear equations that consists of a quasiclassical Langevin equation for the momentum with a frictional term and a spin precession equation. The spin precesses around the effective magnetic field generated by both the SOC and the frictional term. It is found from analytical and numerical solutions to these equations that a spin torque effect included in the effective magnetic field causes a spin relaxation and that the spin and momentum orientations after a long time evolution are largely controlled by the Rashba coupling strength. Such a spin relaxation mechanism is qualitatively different from, e.g., the one encountered in semiconductors in which essentially no momentum dissipation occurs due to the Pauli blocking.