The semiclassical long-time limit of free evolution of quantum wave packets on the torus is under consideration. Despite of simplicity of this system, there are still open questions concerning the detailed description of the evolution on time scales beyond the Ehrenfest time. One of the approaches is based on the limiting Wigner or Husimi distributions of time-evolved wave packets as the Planck constant tends to zero and time tends to infinity. We derive explicit expressions for semiclassical measures corresponding to all time scales and the corresponding stages of evolution: classical-like motion, spreading of the wave packet, and its revivals. Also we discuss limitations of the approach based on semiclassical measures and suggest its generalization.
The Ehrenfest dynamics, representing a quantum-classical mean-field type coupling, is a widely used approximation in quantum molecular dynamics. In this paper, we propose a time-splitting method for an Ehrenfest dynamics, in the form of a nonlinearly coupled Schrödinger-Liouville system. We prove that our splitting scheme is stable uniformly with respect to the semiclassical parameter, and, moreover, that it preserves a discrete semiclassical limit. Thus one can accurately compute physical observables using time steps induced only by the classical Liouville equation, i.e., independent of the s…
We discuss thermalization of isolated quantum systems by using the Husimi-Wehrl entropy evaluated in the semiclassical treatment. The Husimi-Wehrl entropy is the Wehrl entropy obtained by using the Husimi function for the phase space distribution. The time evolution of the Husimi function is given by smearing the Wigner function, whose time evolution is obtained in the semiclassical approximation. We show the efficiency and usefullness of this semiclassical treatment in describing entropy production of a couple of quantum mechanical systems, whose classical counter systems are known to be chao…
The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one and three dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three flavors of mixed quantum-classical dynamics: the classical path approximation (CPA), Ehrenfest dynamics, and symmetrical quantum-classical (SQC) dynamics. The CPA fails to recover a consistent description of spontaneous emission. A consistent "spontaneous" emission can be obtained from Ehrenfest dynamics--provided that one starts in an electronic superposition sta…
We show that the dynamics of a closed quantum system obeys the Hamilton variation principle. Even though quantum particles lack well-defined trajectories, their evolution in the Husimi representation can be treated as a flow of multidimensional probability fluid in the phase space. By introducing the classical counterpart of the Husimi representation in a close analogy to the Koopman-von Neumann theory, one can largely unify the formulations of classical and quantum dynamics. We prove that the motions of elementary parcels of both classical and quantum Husimi fluid obey the Hamilton variationa…
Far out-of-equilibrium many-body quantum dynamics in isolated systems necessarily generate interferences beyond an Ehrenfest time scale, where quantum and classical expectation values diverge. Of great recent interest is the role these interferences play in the spreading of quantum information across the many degrees of freedom, i.e.~scrambling. Ultracold atomic gases provide a promising setting to explore these phenomena. Theoretically speaking, the heavily-relied-upon truncated Wigner approximation leaves out these interferences. We develop a semiclassical theory which bridges classical and …
A general semiclassical method in phase space based on the final value representation of the Wigner function is considered that bypasses caustics and the need to root-search for classical trajectories. We demonstrate its potential by applying the method to the Kerr Hamiltonian, for which the exact quantum evolution is punctuated by a sequence of intricate revival patterns. The structure of such revival patterns, lying far beyond the Ehrenfest time, is semiclassically reproduced and revealed as a consequence of constructive and destructive interferences of classical trajectories.
An initial coherent state is propagated exactly by a kicked quantum Hamiltonian and its associated classical stroboscopic map. The classical trajectories within the initial state are regular for low kicking strengths, then bifurcate and become mainly chaotic as the kicking parameter is increased. Time-evolution is tracked using classical, quantum and semiclassical Wigner functions, obtained via the Herman-Kluk propagator. Quantitative comparisons are also included and carried out from probability marginals and autocorrelation functions. Sub-Planckian classical structure such as small stability…
Electronic transport in nanodevices is commonly studied theoretically and numerically within the Landauer-Büttiker formalism: a device is characterized by its scattering properties to and from reservoirs connected by perfect semi-infinite leads, and transport quantities are derived from the scattering matrix. In some respects, however, the device becomes a "black box" as one only analyses what goes in and out. Here we use the Husimi function as a complementary tool for quantitatively understanding transport in graphene nanodevices. It is a phase space representation of the scattering wavefunct…
We benchmark a selection of semiclassical and perturbative dynamics techniques by investigating the correlated evolution of a cavity-bound atomic system to assess their applicability to study problems involving strong light-matter interactions in quantum cavities. The model system of interest features spontaneous emission, interference, and strong coupling behaviour, and necessitates the consideration of vacuum fluctuations and correlated light-matter dynamics. We compare a selection of approximate dynamics approaches including fewest switches surface hopping, multi-trajectory Ehrenfest dynami…
The motion of a neutral atom endowed with a magnetic moment interacting with the magnetic field is determined from the Ehrenfest-like equations of motion. These equations for the average values of the translational and spin degrees of freedom are derived from the Schrödinger-Pauli wave equation and they form a set of nine coupled nonlinear evolution equations. The numerical and analytic solutions of these equations are obtained for the combination of the rotating magnetic field of a wave carrying orbital angular momentum and a static magnetic field. The running wave traps the atom only in the …
Mixed Quantum Classical (MQC)-IVR is a recently introduced semiclassical framework that allows for selective quantization of the modes of a complex system. In the quantum limit, MQC reproduces the semiclassical Double Herman-Kluk IVR results, accurately capturing nuclear quantum coherences and conserving zero-point energy. However, in the classical limit, while MQC mimics the Husimi-IVR for real-time correlation functions with linear operators, it is significantly less accurate for non-linear correlation functions with errors even at time zero. Here, we identify the origin of this discrepancy …
Using semiclassical methods, it is possible to construct very accurate approximations in the short wavelength limit of quantum dynamics that rely exclusively on classical dynamical input. For systems whose classical realization is strongly chaotic, there is an exceedingly short logarithmic Ehrenfest time scale, beyond which the quantum and classical dynamics of a system necessarily diverge, and yet the semiclassical construction remains valid far beyond that time. This fact leads to a paradox if one ponders the reversibility and predictability properties of quantum and classical mechanics. The…
Understanding the footprints of chaos in quantum-many-body systems has been under debate for a long time. In this work, we study the echo dynamics of the Sherrington-Kirkpatrick (SK) model with transverse field under effective time reversal. We investigate numerically its quantum and semiclassical dynamics. We explore how chaotic many-body quantum physics can lead to exponential divergence of the echo of observables and we show that it is a result of three requirements: i) the collective nature of the observable, ii) a properly chosen initial state and iii) the existence of a well-defined chao…
The family of trajectories-based approximations employed in computational quantum physics and chemistry is very diverse. For instance, Bohmian and Heller's frozen Gaussian semiclassical trajectories seem to have nothing in common. Based on a hydrodynamic analogy to quantum mechanics, we furnish the unified gauge theory of all such models. In the light of this theory, currently known methods are just a tip of the iceberg, and there exists an infinite family of yet unexplored trajectory-based approaches. Specifically, we show that each definition for a semiclassical trajectory corresponds to a s…
The atomistic resolution recently achieved by ultrafast spectroscopies demands corresponding theoretical advances. Real-time time-dependent density-functional theory (RT-TDDFT) with Ehrenfest dynamics offers an optimal trade-off between accuracy and computational costs to study electronic and vibrational dynamics of laser-excited materials in the sub-picosecond regime. However, this approach is unable to account for thermal effects or zero-point energies which are crucial in the physics involved. Herein, we adopt a quantum-semiclassical method based on RT-TDDFT+Ehrenfest to simulate laser-indu…
We consider the many-body spectra of interacting bosonic quantum fields on a lattice in the semiclassical limit of large particle number $N$. We show that the many-body density of states can be expressed as a coherent sum over oscillating long-wavelength contributions given by periodic, non-perturbative solutions of the, typically non-linear, wave equation of the classical (mean-field) limit. To this end we construct the semiclassical approximation for both the smooth and oscillatory part of the many-body density of states in terms of a trace formula starting from the exact path integral form …
We investigate thermalization process in relativistic heavy ion collisions in terms of the Husimi-Wehrl (HW) entropy defined with the Husimi function, a quantum distribution function in a phase space. We calculate the semiclassical time evolution of the HW entropy in Yang-Mills field theory with the phenomenological initial field configuration known as the McLerran-Venugopalan model in a non-expanding geometry, which has instabilty triggered by initial field fluctuations. HW-entropy production implies the thermalization of the system and it reflects the underlying dynamics such as chaoticity a…
We discuss a quantum Kolmogorov-Sinai entropy defined as the entropy production per unit time resulting from coupling the system to a weak, auxiliary bath. The expressions we obtain are fully quantum, but require that the system is such that there is a separation between the Ehrenfest and the correlation timescales. We show that they reduce to the classical definition in the semiclassical limit, one instance where this separation holds. We show a quantum (Pesin) relation between this entropy and the sum of positive eigenvalues of a matrix describing phase-space expansion. Generalizations to th…
Out-of-time-order correlators (OTOCs) have been proposed as sensitive probes for chaos in interacting quantum systems. They exhibit a characteristic classical exponential growth, but saturate beyond the so-called scrambling or Ehrenfest time $τ_{\rm E}$ in the quantum correlated regime. Here we present a path-integral approach for the entire time evolution of OTOCs for bosonic $N$-particle systems. We first show how the growth of OTOCs up to $τ_{\rm E} = (1/λ) \log N$ is related to the Lyapunov exponent $λ$ of the corresponding chaotic mean-field dynamics in the semiclassical large-$N$ limit. …
Quantum chaotic interacting $N$-particle systems are assumed to show fast and irreversible spreading of quantum information on short (Ehrenfest) time scales $\sim\!\log N$. Here we show that, near criticality, certain many-body systems exhibit fast initial scrambling, followed subsequently by oscillatory behavior between reentrant localization and delocalization of information in Hilbert space. We consider both integrable and nonintegrable quantum critical bosonic systems with attractive contact interaction that exhibit locally unstable dynamics in the corresponding many-body phase space of th…
