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Molecular Physics

Behaviour of wave packets in the interaction and the Schrödinger pictures for tunnelling through a one-dimensional Gaussian potential barrier

Kazumoto Ohnami, Kazuya Miyazaki, Y. Mikami

Published Jul 1, 1994• 0 citations
Publisher

Abstract

The interaction picture wave packet method is applied to hydrogen scattering with a model Gaussian potential barrier, the linear reaction model. Some new features for the behaviour of the interaction picture wave packet are pointed out. It also splits into two parts according to the separation of the original Schrödinger picture wave packet into transmitted and reflected parts. The interrelation between the two wave packets is discussed in detail. In contrast with the Schrödinger picture wave packet, the reflected part is so clearly defined that we can evaluate the reflection probability as a function of time.

DOI
10.1080/00268979400100524

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The interaction picture wave packet method is applied to hydrogen scattering with a model Gaussian potential barrier, the linear reaction model. Some new features for the behaviour of the interaction picture wave packet are pointed out. It also splits into two parts according to the separation of the original Schrödinger picture wave packet into transmitted and reflected parts. The interrelation between the two wave packets is discussed in detail. In contrast with the Schrödinger picture wave packet, the reflected part is so clearly defined that we can evaluate the reflection probability as a function of time.
We consider the time development of a one-dimensional Gaussian wave packet. Noting that the quantum mechanical predictions concerning position and momentum measurements of a free particle described by a Gaussian packet are consistent with the predictions one would make on the basis of a classical “Naive Model,” we investigate whether this model can account for the scattering of a particle by a rectangular barrier. Obtaining numerical solutions of the time dependent Schrödinger equation for a series of packets with varying incident momenta, we find that the Naive Model is inadequate to explain the quantum mechanical transmission. We study the relative speeds of the transmitted and reflected packets, discussing a number of possible interpretations and indicating the quantum mechanical result. Finally, we note that for certain choices of the parameters describing the packet and the barrier, the reflected packet is composed of two distinct humps.
It is shown that in the case of the one-particle one-dimensional scattering problem for a given time-independent potential, for each state of the whole quantum ensemble of identically prepared particles, there is an unique pair of (subensemble's) solutions to the Schrödinger equation, which, as we postulate, describe separately transmission and reflection: in the case of nonstationary states, for any instant of time, these functions are orthogonal and their sum describes the state of all particles; evolving with constant norms, one of them approaches at late times the transmitted wave packet and another approaches the reflected packet. Both for transmission and reflection, 1) well before and after the scattering event, the average kinetic energy of particles is the same, 2) the average starting point differs, in the general case, from that for all particles. It is shown that for reflection, in the case of symmetric potential barriers, the domain of the motion of particles is bounded by the midpoint of the barrier region. We define (exact and asymptotic) transmission and reflection times and show that the basic results of our formalism can be, in principle, checked experimentally.
We discuss a solution of the time-dependent Schrödinger equation that incorporates absorbing boundary conditions and a method for extracting the reflection and transmission probabilities for wave packets interacting with time-dependent potential barriers. We apply the method to a rectangular barrier that moves with constant velocity, an oscillating rectangular barrier, a locally periodic barrier with an amplitude modulated by a traveling wave, and a locally periodic potential with an amplitude modulated by a standing wave. Visualizations of the reflection phenomena are presented with an emphasis on understanding these systems from their dynamics. Applications to non-stationary neutron optics experiments are discussed briefly.
In previous studies, by the methods of wave mechanics, of one-dimensional motion of particles in cases in which there are intervals in which the value of the potential energy function V(x)V(x)V(x) exceeds the value of the total energy EEE, attention has been confined to wave functions of the form $f(x, E)\mathrm{exp}(\ensuremath{-}\frac{2\ensuremath{\pi}\mathrm{iEt}}{h})$. In the present note wave packets are considered, instead of these trains of waves.The function V(x)V(x)V(x) is taken as follows: V(x),=0forx<0andforx>a,=V0>0for0<x<a.{V(x),=0 \mathrm{for} x<0 \mathrm{and}\mathrm{for} x>a,}{={V}_{0}>0 \mathrm{for} 0<x<a.}V(x),=0forx<0andforx>a,=V0​>0for0<x<a. A wave function is set up which initially represents a wave packet moving toward the point x=0x=0x=0 from the left. The separation of the incident packet into a reflected packet and a transmitted packet is studied. It is found that the transmitted packet appears at the point x=ax=ax=a at about the time at which the incident packet reaches the point x=0x=0x=0, so that there is no appreciable delay in the transmission of the packet through the barrier.
The interaction of a wave packet (and in particular the wave front) with a mass barrier is investigated in one dimension. We discuss the main features of the wave packet that are inherent to two-dimensional wave packets, such as compression during reflection, penetration in the case when the energy is lower than the height of the barrier, waving tails, precursors, and the retardation of the reflected and penetrated wave packets. These features depend on the wave-packet envelope function which we demonstrate by considering the case of a rectangular wave packet with sharp front and trailing edges and a smooth Gaussian wave packet. The method of Fourier integral for obtaining the nonstationary solutions is used.
The transmission of wave packets through barriers by tunneling is studied in detail by the method of quantum molecular dynamics. The distribution of the arrival times of a tunneling packet in front of and behind a barrier and the momentum distribution function of the packet are calculated. The average position and average momentum of the packet and their spread are investigated. It is found that below the barrier a part of the packet is reflected, and a Gaussian barrier increases the average momentum of the transmitted packet and its spread in momentum space.