A general relationship is established between wave-packet evolution and quantization in classically integrable systems. Because of wave-packet spreading, one cannot simply take the Fourier transform of the time evolution of a wave packet. Instead, one must propagate the wave packet using the actions as Hamiltonians. The energy eigenvalues which result are the Einstein-Brillouin-Keller values, and new forms for the eigenfunctions appear. These are free of caustic singularities, and represent averages of wave packets over the invariant torus.
A general relationship is established between wave-packet evolution and quantization in classically integrable systems. Because of wave-packet spreading, one cannot simply take the Fourier transform of the time evolution of a wave packet. Instead, one must propagate the wave packet using the actions as Hamiltonians. The energy eigenvalues which result are the Einstein-Brillouin-Keller values, and new forms for the eigenfunctions appear. These are free of caustic singularities, and represent averages of wave packets over the invariant torus.
We discuss four general features of the force-free evolution of wave packets: (1) The spatial spread of a packet changes with time in a simple way. (2) For sufficiently short durations (related to the spread in the momentum of the packet) the probability distribution will move with uniform speed and little change in shape. (3) After a sufficiently long time (related to the initial spatial spread) the wave function converges to a simple form that is simply related to the momentum distribution of the packet. In this asymptotic regime the shape of the probability distribution no longer changes, and its scale increases linearly with the time. (4) There is an infinite denumerable set of simple wave packets (the Hermite-Gauss packets) that do not change shape at any time during their evolution.
The motion of wave packets can be easily determined for any Hamiltonian that is quadratic in position and momentum, even if the coefficients of the terms in the Hamiltonian vary with time. The method is based on the existence of an invariant operator, linear in position and momentum, the coefficients of these operators being solutions of the corresponding classical system. This immediately yields a set of very simple wave packets whose evolution is easily determined, and whose magnitude has the same form as the energy eigenfunctions of the harmonic oscillator (i.e., Gaussian or Hermite–Gaussian). This set provides a complete basis for finding the evolution of any state and the exact propagator is readily determined. For the harmonic oscillator, this set includes coherent states, squeezed states, displaced number states, and squeezed number states as special cases. The following important properties hold for every quadratic Hamiltonian, no matter what time dependence is present in the Hamiltonian: (1) The motion of the centroid of any wave packet separates from that of any moments relative to the centroid. (2) Every detail of the evolution of the quantum system can be calculated from the solutions of the corresponding classical system. (3) Wave functions of Gaussian (or Hermite–Gaussian) form will retain that form as they evolve.
The postulates of quantum mechanics associate the time-evolution of a system with its time-dependent Schrödinger equation. We start by examining different solutions to this equation for a particle, represented in terms of a Gaussian wave packet, in different scenarios: free, scattered from a potential energy barrier, or trapped in a potential energy well. In some cases, we encounter stationary solutions, in which the probability density does not change in time (a standing wave). These solutions are identified as eigenfunctions of a system Hamiltonian. The properties of the Hamiltonian as a Hermitian operator are introduced, and particularly, the fact that its proper eigenfunctions can compose an orthonormal set, and that the corresponding eigenvalues are real-valued. Learning that all operators that relate to measurables are Hermitian, and that their eigenvalues relate to the measured values, we conclude that the eigenvalues of the energy operator (Hamiltonian) are the energy levels of the quantum system.
The usual textbook discussions of the velocity and spreading of a wave packet are based on special cases and approximations which have a limited range of validity. In this paper more general relations are obtained by considering the time dependence of the moments of a wave packet. Both a packet of real sinusoidal plane waves (a real pulse, e.g., sound) and a packet of complex exponential plane waves (e.g., the quantum-mechanical wave function of a free particle) are considered. The results are similar if the real wave packet contains no standing wave components. It is shown that the centroid of a wave packet moves at a constant velocity which is a weighted average of the group velocity. The spreading of the wave packet depends on the product of the variance of the group velocity and the square of the time interval before or after the time of minimum packet width. The packet moves and spreads like a collection of particles in free flight, in which the velocities of the particles are the group velocities of the wave components of the packet.
This chapter begins by exploiting the Einstein–de Broglie relation and the notion of symbol, as defined in Eq. (3.6.6). The following steps are the local and global conservation laws associated to the Schrödinger equation, the probabilistic interpretation of the wave function, the spreading of wave packets and transformation properties of wave functions. The solution of the Schrödinger equation for a given initial condition is then studied. For this purpose, one first expands the initial condition in terms of eigenfunctions of the Hamiltonian operator. This is then ‘propagated’ to determine the evolution of the wave function. Thus, one is led to consider the Green kernel of the Schrödinger equation, and the boundary conditions on the wave function that lead to complete knowledge of stationary states. A dynamics involving an isometric non-unitary operator is also studied. The chapter ends with an elementary introduction to harmonic oscillators and to the JWKB method in wave mechanics, plus examples on the Bohr–Sommerfeld quantization. From classical to wave mechanics The correspondence between differential operators and polynomials in k relies on the notion of the symbol defined in Eq. (3.6.6). Now we are aiming to pass from a function on phase space, i.e. the classical Hamiltonian, to an operator which, by analogy, is called the Hamiltonian operator. Such a transition is non-trivial because the map from symbols to operators contains some ambiguity. Such a transition is always possible if polynomials in p have constant coefficients. When this is not the case, i.e. if the coefficients are functions on the configuration space, there is an obvious ambiguity in the association of an operator with xp or px , for instance.
A new method is proposed for computing the time evolution of quantum mechanical wave packets. Equations of motion for the real-valued functions C and S in the complex action S=C(r,t)+iS(r,t)/ℏ, with ψ(r,t)=exp(S), involve gradients and curvatures of C and S. In previous implementations of the hydrodynamic formulation, various time-consuming fitting techniques of limited accuracy were used to evaluate these derivatives around each fluid element in an evolving ensemble. In this study, equations of motion are developed for the spatial derivatives themselves and a small set of these are integrated along quantum trajectories concurrently with the equations for C and S. Significantly, quantum effects can be included at various orders of approximation, no spatial fitting is involved, there are no basis set expansions, and single quantum trajectories (rather than correlated ensembles) may be propagated, one at a time. Excellent results are obtained when the derivative propagation method is applied to anharmonic potentials involving barrier transmission.