No Arabic abstract
The discrete truncated Wigner approximation (DTWA) is a powerful tool for analyzing dynamics of quantum spin systems. Since the DTWA includes the leading-order quantum corrections to a mean-field approximation, it is naturally expected that the DTWA becomes more accurate when the range of interactions of the system increases. However, quantitative corroboration of this expectation is still lacking mainly because it is generally difficult in a large system to evaluate a timescale on which the DTWA is quantitatively valid. In order to investigate how the validity timescale depends on the interaction range, we analyze dynamics of quantum spin models with a step function type interaction subjected to a sudden quench of a magnetic field by means of both DTWA and its extension including the second-order correction, which is derived from the Bogoliubov-Born-Green-Kirkwood-Yvon equation. We also develop a formulation for calculating the second-order Renyi entropy within the framework of the DTWA. By comparing the time evolution of the Renyi entropy computed by the DTWA with that by the extension including the correction, we find that both in the one- and two-dimensional systems the validity timescale increases algebraically with the range of the step function type interaction.
Nonadiabatic molecular dynamics occur in a wide range of chemical reactions and femtochemistry experiments involving electronically excited states. These dynamics are hard to treat numerically as the systems complexity increases and it is thus desirable to have accurate yet affordable methods for their simulation. Here, we introduce a linearized semiclassical method, the generalized discrete truncated Wigner approximation (GDTWA), which is well-established in the context of quantum spin lattice systems, into the arena of chemical nonadiabatic systems. In contrast to traditional continuous mapping approaches, e.g. the Meyer-Miller-Stock-Thoss and the spin mappings, GDTWA samples the electron degrees of freedom in a discrete phase space, and thus forbids an unphysical unbounded growth of electronic state populations. The discrete sampling also accounts for an effective reduced but non-vanishing zero-point energy without an explicit parameter, which makes it possible to treat the identity operator and other operators on an equal footing. As numerical benchmarks on two Linear Vibronic Coupling models show, GDTWA has a satisfactory accuracy in a wide parameter regime, independently of whether the dynamics is dominated by relaxation or by coherent interactions. Our results suggest that the method can be very adequate to treat challenging nonadiabatic dynamics problems in chemistry and related fields.
By means of the discrete truncated Wigner approximation we study dynamical phase transitions arising in the steady state of transverse-field Ising models after a quantum quench. Starting from a fully polarized ferromagnetic initial condition these transitions separate a phase with nonvanishing magnetization along the ordering direction from a symmetric phase upon increasing the transverse field. We consider two paradigmatic cases, a one-dimensional long-range model with power-law interactions $propto 1/r^{alpha}$ decaying algebraically as a function of distance $r$ and a two-dimensional system with short-range nearest-neighbour interactions. In the former case we identify dynamical phase transitions for $alpha lesssim 2$ and we extract the critical exponents from a data collapse of the steady state magnetization for up to 1200 lattice sites. We find identical exponents for $alpha lesssim 0.5$, suggesting that the dynamical transitions in this regime fall into the same universality class as the nonergodic mean-field limit. The two-dimensional Ising model is believed to be thermalizing, which we also confirm using exact diagonalization for small system sizes. Thus, the dynamical transition is expected to correspond to the thermal phase transition, which is consistent with our data upon comparing to equilibrium quantum Monte-Carlo simulations. We further test the accuracy of the discrete truncated Wigner approximation by comparing against numerically exact methods such as exact diagonalization, tensor network as well as artificial neural network states and we find good quantitative agreement on the accessible time scales. Finally, our work provides an additional contribution to the understanding of the range and the limitations of qualitative and quantitative applicability of the discrete truncated Wigner approximation.
Studying entanglement growth in quantum dynamics provides both insight into the underlying microscopic processes and information about the complexity of the quantum states, which is related to the efficiency of simulations on classical computers. Recently, experiments with trapped ions, polar molecules, and Rydberg excitations have provided new opportunities to observe dynamics with long-range interactions. We explore nonequilibrium coherent dynamics after a quantum quench in such systems, identifying qualitatively different behavior as the exponent of algebraically decaying spin-spin interactions in a transverse Ising chain is varied. Computing the build-up of bipartite entanglement as well as mutual information between distant spins, we identify linear growth of entanglement entropy corresponding to propagation of quasiparticles for shorter range interactions, with the maximum rate of growth occurring when the Hamiltonian parameters match those for the quantum phase transition. Counter-intuitively, the growth of bipartite entanglement for long-range interactions is only logarithmic for most regimes, i.e., substantially slower than for shorter range interactions. Experiments with trapped ions allow for the realization of this system with a tunable interaction range, and we show that the different phenomena are robust for finite system sizes and in the presence of noise. These results can act as a direct guide for the generation of large-scale entanglement in such experiments, towards a regime where the entanglement growth can render existing classical simulations inefficient.
We develop and utilize the SU(3) truncated Wigner approximation (TWA) in order to analyze far-from-equilibrium quantum dynamics of strongly interacting Bose gases in an optical lattice. Specifically, we explicitly represent the corresponding Bose--Hubbard model at an arbitrary filling factor with restricted local Hilbert spaces in terms of SU(3) matrices. Moreover, we introduce a discrete Wigner sampling technique for the SU(3) TWA and examine its performance as well as that of the SU(3) TWA with the Gaussian approximation for the continuous Wigner function. We directly compare outputs of these two approaches with exact computations regarding dynamics of the Bose--Hubbard model at unit filling with a small size and that of a fully-connected spin-1 model with a large size. We show that both approaches can quantitatively capture quantum dynamics on a timescale of $hbar/(Jz)$, where $J$ and $z$ denote the hopping energy and the coordination number. We apply the two kinds of SU(3) TWA to dynamical spreading of a two-point correlation function of the Bose--Hubbard model on a square lattice with a large system size, which has been measured in recent experiments. Noticeable deviations between the theories and experiments indicate that proper inclusion of effects of the spatial inhomogeneity, which is not straightforward in our formulation of the SU(3) TWA, may be necessary.
In recent years, dynamical phase transitions and out-of-equilibrium criticality have been at the forefront of ultracold gases and condensed matter research. Whereas universality and scaling are established topics in equilibrium quantum many-body physics, out-of-equilibrium extensions of such concepts still leave much to be desired. Using exact diagonalization and the time-dependent variational principle in uniform martrix product states, we calculate the time evolution of the local order parameter and Loschmidt return rate in transverse-field Ising chains with antiferromagnetic power law-decaying interactions, and map out the corresponding rich dynamical phase diagram. textit{Anomalous} cusps in the return rate, which are ubiquitous at small quenches within the ordered phase in the case of ferromagnetic long-range interactions, are absent within the accessible timescales of our simulations. We attribute this to much weaker domain-wall binding in the antiferromagnetic case. For quenches across the quantum critical point, textit{regular} cusps appear in the return rate and connect to the local order parameter changing sign, indicating the concurrence of two major concepts of dynamical phase transitions. Our results consolidate conclusions of previous works that a necessary condition for the appearance of anomalous cusps in the return rate after quenches within the ordered phase is for topologically trivial local spin flips to be the energetically dominant excitations in the spectrum of the quench Hamiltonian. Our findings are readily accessible in modern trapped-ion setups, and we outline the associated experimental considerations.