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Physica A Statistical Mechanics and its Applications

Quantum mechanics in the gaussian wave-packet phase space representation III: From phase space probability functions to wave-functions

Salomon Sylvain Mizrahi

Published Jun 1, 1988• 32 citations
Publisher
DOI
10.1016/0378-4371(88)90254-3

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We develop methodology for performing time dependent quantum mechanical calculations by representing the wave function as a sum of Gaussian wave packets (GWP) each characterized by a set of parameters such as width, position, momentum, and phase. The problem of computing the time evolution of the wave function is thus reduced to that of finding the time evolution of the parameters in the Gaussians. This parameter motion is determined by minimizing the error made by replacing the exact wave function in the time dependent Schrödinger equation with its Gaussian representation approximant. This leads to first order differential equations for the time dependence of the parameters, and those describing the packet position and the momentum of each packet have some resemblance with the classical equations of motion. The paper studies numerically the strategy needed to achieve the best GWP representation of time dependent processes. The issues discussed are the representation of the initial wave function, the numerical stability and the solution of the differential equations giving the evolution of the parameters, and the analysis of the final wave function. Extensive comparisons are made with an approximate method which assumes that the Gaussians are independent and their width is smaller than the length scale over which the potential changes. This approximation greatly simplifies the calculations and has the advantage of a greater resemblance to classical mechanics, thus being more intuitive. We find, however, that its range of applications is limited to problems involving localized degrees of freedom that participate in the dynamic process for a very short time. Finally we give particular attention to the notion that the GWP representation of the wave function reduces the dynamics of one quantum degree of freedom to that of a set of pseudoparticles (each represented by one packet) moving according to a pseudoclassical (i.e., classical-like) mechanics whose ‘‘phase space’’ is described by a position and momentum as well as a complex phase and width.
The paper deals with the motion of a Gaussian wave-packet in a parabolic potential field, contrasting the quantum-mechanical behaviour of the packet with that which follows from pure classical mechanics. The behaviour is entirely classical only if the initial phase of the space-wave-function is linear in the space coordinate; in which case the wave-packet is initially a ‘best-possible’ packet according to Heisenberg's uncertainty relationship. The paper concludes with a brief reference to the similar problem for a free particle. Note added in Proof, 16 February 1946. Through the courtesy of Mr M. S. Bartlett, we have been privileged to see the manuscripts of some work by Mr J. E. Moyal and himself, in which the motion of a probability wave-packet is discussed in more general terms than our own: and in which it appears that the motion of our wave-packet, which we have described as non-classical, is indeed actually classical provided that a certain correlation exists between momentum and position in the p, q-distribution function. With this knowledge we now find that classical and quantal predictions agree precisely provided that the initial classical probability function is given by this is a particular case of their more general results.
ABSTRACT For free propagation from a focus, the Hermite–Gauss wave functions of optics spread in space. In quantum mechanics, the Hermite–Gauss functions are referred to as the harmonic oscillator eigenfunctions. These functions are used here to describe the interference of wave packets. It has been shown that when transformed to a frame moving with the normal to the wave front trajectories, the Hermite–Gauss functions are constant up to a phase factor which is the Gouy phase. The Gouy phase itself assumes the role of proper space or time coordinate. Along the whole of such a trajectory, the space wave function is proportional to the wave number or momentum function. An arbitrary normalizable wave packet can be expanded using the Hermite–Gauss functions as a basis. As example, it is shown that in the transformed frame, a displaced Gaussian does not spread but rather becomes a coherent state. This allows a particularly simple representation of the Young's interference pattern from two or more slits.