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The Journal of Chemical Physics

Quantum manifestations of classical stochasticity. II. Dynamics of wave packets of bound states

Yitzhak Weissman, Joshua Jortner

Published Aug 1, 1982• 65 citations
Publisher

Abstract

In this paper we consider some of the consequences of classical stochasticity phenomena in the quantum mechanical Henon–Heiles and Barbanis systems. To explore classical–quantum analogies we have introduced a quantum mechanical phase space based on the coherent state representation. Quantum Poincaré maps (QPMs) were constructed from contour plots of the stationary phase-space densities. We have observed a correlation between the topological features of a QPM at an eigenenergy E and the sensitivity ‖dE/dε‖ of that energy to the strength ε of the nonlinear coupling. States with extreme values of ‖dE/dε‖, corresponding to both high and to low values of ‖dE/dε‖, show regular regions in the quantum phase space, while states with intermediate values of ‖dE/dε‖ span large parts of the quantum phase-space regions. These general features of the QPMs apply for almost each energy multiplet, and no qualitative change in the character of the QPMs was observed above the classical critical energy Ec for the stochastic transition. To investigate the quantum analog of classical trajectories, we have studied the dynamics of initially coherent Gaussian wave packets. We have discovered two limiting types of time evolution of intially coherent wave packets, which exhibit quasiperiodic time evolution or rapid dephasing. Quasiperiodic quantum dynamics is analogous to quasiperiodic classical trajectory dynamics, while rapid dephasing of the wave packet reflects the effects of spreading of the wave packet or/and stochastic classical dynamics. We were able to establish a correspondence between the topology of the quantum phase-space density and the wave packet dynamics. Quasiperiodic time evolution and rapid dephasing are exhibited by wave packets initially located in the regular and in the irregular regions of the quantum phase space, respectively.

DOI
10.1063/1.443977

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In this paper we consider some of the consequences of classical stochasticity phenomena in the quantum mechanical Henon–Heiles and Barbanis systems. To explore classical–quantum analogies we have introduced a quantum mechanical phase space based on the coherent state representation. Quantum Poincaré maps (QPMs) were constructed from contour plots of the stationary phase-space densities. We have observed a correlation between the topological features of a QPM at an eigenenergy E and the sensitivity ‖dE/dε‖ of that energy to the strength ε of the nonlinear coupling. States with extreme values of ‖dE/dε‖, corresponding to both high and to low values of ‖dE/dε‖, show regular regions in the quantum phase space, while states with intermediate values of ‖dE/dε‖ span large parts of the quantum phase-space regions. These general features of the QPMs apply for almost each energy multiplet, and no qualitative change in the character of the QPMs was observed above the classical critical energy Ec for the stochastic transition. To investigate the quantum analog of classical trajectories, we have studied the dynamics of initially coherent Gaussian wave packets. We have discovered two limiting types of time evolution of intially coherent wave packets, which exhibit quasiperiodic time evolution or rapid dephasing. Quasiperiodic quantum dynamics is analogous to quasiperiodic classical trajectory dynamics, while rapid dephasing of the wave packet reflects the effects of spreading of the wave packet or/and stochastic classical dynamics. We were able to establish a correspondence between the topology of the quantum phase-space density and the wave packet dynamics. Quasiperiodic time evolution and rapid dephasing are exhibited by wave packets initially located in the regular and in the irregular regions of the quantum phase space, respectively.
In this paper, we investigate the quantum dynamics of wave packets of bound states in the nonlinear Henon–Heiles (HH) system. The time evolution of a wave packet was separated into two processes involving (a) the motion of its first moments and (b) its spreading. On the time scale when wave packet spreading can be neglected, we were able to establish relations between wave packet quantum dynamics expressed in terms of the initial-state population probability P(t) and classical trajectory dynamics. We have demonstrated that the initial states, which are characterized by a periodic time evolution of P(t) over many periods, are related to the five elliptic periodic orbits in the HH system. The decay of P(t) over a few vibrational periods is related to the classical features of quasiperiodic trajectories and can be accounted for in terms of overlap reduction effects. When the center of the initial wave packet is moved further away from the classical periodic orbits, P(t) is characterized by a single initial peak followed by a ’’noisy’’ background. There is no qualitative distinction between the ’’short-time’’ behavior of a wave packet initiated in distant integrable regions and in classical stochastic regions. For long times, wave packet spreading effects set in. Quantum mechanical estimates for the spreading time τs, which depends on the initial conditions, were provided. For wave packets initiated on periodic trajectories, τs is very long, becoming shorter as one moves away from the fixed points. The quantum mechanical long time (t≫τs) behavior of P(t) exhibits small-amplitude noisy time dependence for all initial conditions. This behavior may be described as ’’quantum mechanical stochasticity’’ and is related to the universal feature of irregularity of the spectral resolution of all wave packets in a nonlinear system. From this point of view, all wave packets exhibit ’’quantum stochastic behavior,’’ but there are vast quantitative differences for different initial conditions that are manifested in terms of the values of τs and of the average noisy amplitude. It should be emphasized that this ’’quantum stochasticity’’ is not related to classical stochasticity phenomena.
The evolution of wave packets under the influence of a Hénon–Heiles potential has been investigated by direct numerical solution of the time-dependent Schrödinger equation. Coherent state Gaussians with a variety of mean positions and momenta were selected as initial wave functions. Three types of diagnostics were used to identify chaotic behavior, namely, phase space trajectories computed from the expected values of coordinates and momenta, the correlation function P(t)=‖〈ψ(0)‖ψ(t)〉‖2, and the uncertainty product or phase space volume V(t)=ΔxΔyΔpxΔpy. The three approaches lead to a consistent interpretation of the system’s behavior, which tends to become more chaotic as the energy expectation value of the wave packet increases. The behavior of the corresponding classical system, however, is not a reliable guide to regular or chaotic behavior in the quantum mechanical system.
We compare the dynamics of quantum wave packets with the dynamics of classical trajectory ensembles. The wave packets are Gaussian with expectation values of position and momenta which centers them in phase space. The classical trajectory ensembles are generated directly from the quantum wave packets via the Wigner transform. Quantum and classical dynamics are then compared using several quantum measures and the analogous classical ones derived from the Wigner equivalent formalism. Comparisons are made for several model potentials and it is found that there is generally excellent classical–quantum correspondence except for certain specific cases of tunneling and interference. In general, this correspondence is also very good in regions of phase space where there is classical chaos.
Using the minimum uncertainty state of quantum integrable system as initial state, the spatiotemporal evolution of the wave packet under the action of perturbed Hamiltonian is studied causally as in classical mechanics. Due to the existence of the avoided energy level crossing in the spectrum there exist nonlinear resonances between some pairs of neighboring components of the wave packet, the deterministic dynamical evolution becomes very complicated and appears to be chaotic. It is proposed to use expectation values for the whole set of basic dynamical variables and the corresponding spreading widths to describe the topological features concisely such that the quantum chaotic motion can be studied in contrast with the quantum regular motion and well characterized with the asymptotic behaviors. It has been demonstrated with numerical results that such a wave packet has indeed quantum behaviors of ergodicity as in corresponding classical case.
Using the minimum uncertainty state of quantum integrable system Ho as initial state, the spatiotemporal evolution of the wave packet under the action of perturbed Hamiltonian is studied causally as in classical mechanics. Due to the existence of the avoided energy level crossing in the spectrum there exist nonlinear resonances between some pairs of neighboring components of the wave packet, the deterministic dynamical evolution becomes very complicated and appears to be chaotic. It is proposed to use expectation values for the whole set of basic dynamical variables and the corresponding spreading widths to describe the topological features concisely such that the quantum chaotic motion can be studied in contrast with the quantum regular motion and well characterized with the asymptotic behaviors. It has been demonstrated with numerical results that such a wave packet has indeed quantum behaviors of ergodicity as in corresponding classical case.
We look at time evolution of a physical system from the point of view of dynamical control theory. Normally we solve motion equation with a given external potential and we obtain time evolution. Standard examples are the trajectories in classical mechanics or the wave functions in Quantum Mechanics. In the control theory, we have the configurational variables of a physical system, we choose a velocity field and with a suited strategy we force the physical system to have a well defined evolution. The evolution of the system is the 'premium' that the controller receives if he has adopted the right strategy. The strategy is given by well suited laboratory devices. The control mechanisms are in many cases non linear; it is necessary, namely, a feedback mechanism to retain in time the selected evolution. Our aim is to introduce a scheme to obtain Quantum wave packets by control theory. The program is to choose the characteristics of a packet, that is, the equation of evolution for its centre and a controlled dispersion, and to give a building scheme from some initial state (for example a solution of stationary Schroedinger equation). It seems natural in this view to use stochastic approach to Quantum Mechanics, that is, Stochastic Mechanics [S.M.]. It is a quantization scheme different from ordinary ones only formally. This approach introduces in quantum theory the whole mathematical apparatus of stochastic control theory. Stochastic Mechanics, in our view, is more intuitive when we want to study all the classical-like problems. We apply our scheme to build two classes of quantum packets both derived generalizing some properties of coherent states.