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Journal of Physics A Mathematical and General

Evolution of semiclassical quantum states in phase space

Michael Berry

Published May 1, 1979• 215 citations
Publisher

Abstract

The authors derive a semiclassical formula for the Wigner function W(q,p,t) describing the evolution in the two-dimensional phase space qp of a nonstationary quantum state psi (q,t) for a system with one degree of freedom. The initial state psi (q,0) corresponds to a family of classical orbits represented by a curve C 0 in qp. Under the classical motion C 0 evolves into a curve C t ; it is shown that the region where W is large hugs C t in an adiabatic fashion, and that W has semiclassical oscillations depending only on the geometry of C t and neighbouring curves.

DOI
10.1088/0305-4470/12/5/012

Related papers

Semi-classical mechanics in phase space: A study of Wigner’s function

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Semiquantum versus semiclassical mechanics for simple nonlinear systems

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Regular and irregular semiclassical wavefunctions

Michael Berry

The form of the wavefunction psi for a semiclassical regular quantum state (associated with classical motion on an N-dimensional torus in the 2N-dimensional phase space) is very different from the form of psi for an irregular state (associated with stochastic classical motion on all or part of the (2N-1)-dimensional energy surface in phase space). For regular states the local average probability density Pi rises to large values on caustics at the boundaries of the classically allowed region in coordinate space, and psi exhibits strong anisotropic interference oscillations. For irregular states Pi falls to zero (or in two dimensions stays constant) on 'anticaustics' at the boundary of the classically allowed region, and psi appears to be a Gaussian random function exhibiting more moderate interference oscillations which for ergodic classical motion are statistically isotropic with the autocorrelation of psi given by a Bessel function.

Journal of Physics A Mathematical and General•Dec 1, 1977•1,236 citations
The authors derive a semiclassical formula for the Wigner function W(q,p,t) describing the evolution in the two-dimensional phase space qp of a nonstationary quantum state psi (q,t) for a system with one degree of freedom. The initial state psi (q,0) corresponds to a family of classical orbits represented by a curve C 0 in qp. Under the classical motion C 0 evolves into a curve C t ; it is shown that the region where W is large hugs C t in an adiabatic fashion, and that W has semiclassical oscillations depending only on the geometry of C t and neighbouring curves.
Abstract We explore the semi-classical structure of the Wigner functions Ψ(q,p) representing bound energy eigenstates | Ψ 〉 for systems with fdegrees of freedom. If the classical motion is integrable, the classical limit of Ψ is a delta function on the f-dimensional torus to which classical trajectories corresponding to |Ψ〉 are confined in the 2f-dimensional phase space. In the semi-classical limit of Ψ (ℏ small but not zero) the delta function softens to a peak of order Ψ−f and the torus develops fringes of a characteristic ‘Airy’ form. Away from the torus,Ψ can have semi-classical singularities that are not delta functions; these are discussed (in full detail when f = 1) using Thom's theory of catastrophes. Brief consideration is given to problems raised when is calculated in a representation based on operators derived from angle coordinates and their conjugate momenta. When Ψ the classical motion is non-integrable, the phase space is not filled with tori and existing semi-classical methods fail. We conjecture that (a) For a given value of non-integrability parameter ⋲,the system passes through three semi-classical régimes as ℏ diminishes. (b) For states |Ψ〉 associated with regions in phase space filled with irregular trajectories, Ψ will be a random function confined near that region of the ‘energy shell’ explored by these trajectories (this region has more thanks dimensions). (c) For ⋲ ≠ 0, ℏ blurs the infinitely fine classical path structure, in contrast to the integrable case ⋲ = 0, where ℏ imposes oscillatory quantum detail on a smooth classical path structure.
Abstract. We establish the difference between the propagation of semiclassical Wigner functions and classical Liouville propagation. First we re-discuss the semiclassical limit for the propagator of Wigner functions, which on its own leads to their classical propagation. Then, via stationary phase evaluation of the full integral evolution equation, using the semiclassical expressions of Wigner functions, we provide the correct geometrical prescription for their semiclassical propagation. This is determined by the classical trajectories of the tips of the chords defined by the initial semiclassical Wigner function and centered on their arguments, in contrast to the Liouville propagation which is determined by the classical trajectories of the arguments themselves. 1. introduction The Wigner [11] function W is a representation of the quantum density operator ˆρ as a real function on phase space, for a non-relativistic dynamical system with classical-quantum correspondence and n degrees of freedom. Here, all the underlying geometry is euclidean and we can include the Wigner function within the general framework of Weyl representation of operators: Â → A ∈ Ck IR (IR2n), so W(x) = (2π�) −n ρ(x) , where x ≡ (p1,...pn, q1,...qn) denotes a point in phase space. In this context, the quantum evolution of the density operator ˆρt effected by an autonomous external hamiltonian
Quantum mechanics has been formulated in phase space, with the Wigner function as the representative of the quantum density operator, and classical mechanics has been formulated in Hilbert space, with the Groenewold operator as the representative of the classical Liouville density function. Semiclassical approximations to the quantum evolution of the Wigner function have been defined, enabling the quantum evolution to be approached from a classical starting point. Now analogous semiquantum approximations to the classical evolution of the Groenewold operator are defined, enabling the classical evolution to be approached from a quantum starting point. Simple nonlinear systems with one degree of freedom are considered, whose Hamiltonians are polynomials in the Hamiltonian of the simple harmonic oscillator. The behavior of expectation values of simple observables and of eigenvalues of the Groenewold operator are calculated numerically and compared for the various semiclassical and semiquantum approximations.
The Wigner phase space formulation of quantum mechanics is a complete framework for quantum dynamic calculations that elegantly highlights connections with classical dynamics. In this series of two articles, building upon previous efforts, we derive the full hierarchy of approximate semiclassical (SC) dynamic methods for adiabatic and non-adiabatic problems in Wigner phase space. In Paper I, focusing on adiabatic single surface processes, we derive the well-known double Herman-Kluk (DHK) approximation for real-time correlation functions in Wigner phase space and connect it to the linearized SC (LSC) approximation through a stationary phase approximation. We exploit this relationship to introduce a new hybrid SC method, termed Adiabatic Hybrid Wigner Dynamics (AHWD) that allows for a few important "system" degrees of freedom (dofs) to be treated at the DHK level, while treating the rest of the dofs (the "bath") at the LSC level. AHWD is shown to accurately capture quantum interference effects in models of coupled oscillators and the decoherence of vibrational probability density of a model I2 Morse oscillator coupled to an Ohmic thermal bath. We show that AHWD significantly mitigates the sign problem and employs reduced dimensional prefactors bringing calculations of complex system-bath problems within the reach of SC methods. Paper II focuses on extending this hybrid SC dynamics to nonadiabatic processes.
In this Master's thesis, we give a pedagogical introduction to the semiclassical analysis of wave dynamics in single-band and multi-band systems. We show how the semiclassical evolutions of Wigner functions can approximate the dynamics of wave packet centers and wave packet deformations. Three systems of increasing complexity are considered: the quantum harmonic oscillator and the quantum anharmonic oscillator as single-band systems, and the Dirac oscillator as a two-band system. We explain the origins of the first-order semiclassical corrections (Moyal, Littlejohn-Flynn, and Berry) in the equations of motion and examine their effects on predictive accuracy. Another focus is set on the conditions for validity of the semiclassical analysis. For both the quantum anharmonic and the Dirac oscillators, a dimensionless parameter controlling the accuracy of the approximation is identified. In multi-band systems, the formalism applies only to states within a single adiabatic subspace, which, for the Dirac oscillator, corresponds to an energy branch. This motivates the construction of single-branch almost coherent states: approximately Gaussian wave packets formed by superpositions of states from a single energy branch. Their centers undergo oscillations with an aperiodic envelope. These states enable comparison between semiclassical Wigner function evolution and the commonly used Sundaram-Niu formalism. We show that semiclassical Wigner function evolution captures deformation-related dynamics, including the initial decay of oscillations, which the Sundaram-Niu formalism cannot describe by construction. Additionally, exact quantum evolution reveals partial relocalization of these single-branch almost coherent states, a phenomenon that cannot be captured by the semiclassical evolution.
The form of the wavefunction psi for a semiclassical regular quantum state (associated with classical motion on an N-dimensional torus in the 2N-dimensional phase space) is very different from the form of psi for an irregular state (associated with stochastic classical motion on all or part of the (2N-1)-dimensional energy surface in phase space). For regular states the local average probability density Pi rises to large values on caustics at the boundaries of the classically allowed region in coordinate space, and psi exhibits strong anisotropic interference oscillations. For irregular states Pi falls to zero (or in two dimensions stays constant) on 'anticaustics' at the boundary of the classically allowed region, and psi appears to be a Gaussian random function exhibiting more moderate interference oscillations which for ergodic classical motion are statistically isotropic with the autocorrelation of psi given by a Bessel function.