The quantum phenomenon of above barrier reflection is investigated from a time-dependent perspective using Gaussian wavepackets. The transition path time distribution, which in principle is experimentally measurable, is used to study the mean flight times ⟨t⟩R and ⟨t⟩T associated with the reflection and the transmission over the barrier paying special attention to their dependence on the width of the barrier. Both flight times, and their difference Δt, exhibit two distinct regimes depending on the ratio of the spatial width of the incident wavepacket and the length of the barrier. When the ratio is larger than unity, the reflection and transmission dynamics are coherent and dominated by the resonances above the barrier. The flight times ⟨t⟩R/T and the flight time difference Δt oscillate as a function of the barrier width (almost in phase with the transmission probability). These oscillations reflect a momentum filtering effect related to the coherent superposition of the reflected and transmitted waves. For a ratio less than unity, the barrier reflection and transmission dynamics are incoherent and the oscillations are absent. The barrier width which separates the coherent and incoherent regimes is identified analytically. The oscillatory structure of the time difference Δt as a function of the barrier width in the coherent regime is absent when considered in terms of the Wigner phase time delays for reflection and transmission. We conclude that the Wigner phase time does not correctly describe the temporal properties of above barrier reflection. We also find that the structure of the reflected and transmitted wavepackets depends on the coherence of the process. In the coherent regime, the wavepackets can have an overlapping peak structure, but the peaks are not fully resolved. In the incoherent regime, the wavepackets split in time into distinct separated Gaussian like waves, each one reflecting the number of times the wavepacket crosses the barrier region before exiting. A classical Wigner approximation, using classical trajectories which upon reaching an edge of the barrier are reflected or transmitted as if the edge was a step potential, is quantitative in the incoherent regime. The implications of the coherence observed on resonance reactive scattering are discussed.
The quantum phenomenon of above barrier reflection is investigated from a time-dependent perspective using Gaussian wavepackets. The transition path time distribution, which in principle is experimentally measurable, is used to study the mean flight times ⟨t⟩R and ⟨t⟩T associated with the reflection and the transmission over the barrier paying special attention to their dependence on the width of the barrier. Both flight times, and their difference Δt, exhibit two distinct regimes depending on the ratio of the spatial width of the incident wavepacket and the length of the barrier. When the ratio is larger than unity, the reflection and transmission dynamics are coherent and dominated by the resonances above the barrier. The flight times ⟨t⟩R/T and the flight time difference Δt oscillate as a function of the barrier width (almost in phase with the transmission probability). These oscillations reflect a momentum filtering effect related to the coherent superposition of the reflected and transmitted waves. For a ratio less than unity, the barrier reflection and transmission dynamics are incoherent and the oscillations are absent. The barrier width which separates the coherent and incoherent regimes is identified analytically. The oscillatory structure of the time difference Δt as a function of the barrier width in the coherent regime is absent when considered in terms of the Wigner phase time delays for reflection and transmission. We conclude that the Wigner phase time does not correctly describe the temporal properties of above barrier reflection. We also find that the structure of the reflected and transmitted wavepackets depends on the coherence of the process. In the coherent regime, the wavepackets can have an overlapping peak structure, but the peaks are not fully resolved. In the incoherent regime, the wavepackets split in time into distinct separated Gaussian like waves, each one reflecting the number of times the wavepacket crosses the barrier region before exiting. A classical Wigner approximation, using classical trajectories which upon reaching an edge of the barrier are reflected or transmitted as if the edge was a step potential, is quantitative in the incoherent regime. The implications of the coherence observed on resonance reactive scattering are discussed.
A known limitation of time-dependent mean-field approaches is a lack of quantum tunneling for collective motions such as in sub-barrier fusion reactions. As a first step toward a solution, a time-dependent model is considered using a superposition of Gaussian wave packets, to describe the relative motion between two colliding nuclei, which may be simplified to a problem for one particle in one dimension. In this article, how the model describes the potential-barrier transmission is investigated by paying attention to the time evolution of the phase space distribution, which in particular reveals that the behavior of the free propagation of the incoming state is not trivial, depending on the number of superposed wave packets. Passage over the barrier can occur due to the high-momentum components in the incoming state corresponding to energies above the barrier height, which is, however, of classical nature and needs to be distinguished from the true quantum tunneling. Although a transmitted wave packet in some case may end up with an energy lower than the barrier, a difficulty is noticed in guaranteeing the energy conservation when the energies of different exit channels, e.g. of transmission and reflection, are individually measured. To overcome these issues for a description of quantum tunneling is still a challenging problem. This article mainly treats the same system with the same model as in the paper Hasegawa, Hagino and Tanimura (2020) [1]. However, we reach different conclusions.
How much time does it take for a particle to tunnel through a barrier? This question continues to baffle up to this very day, one of the reasons being the non-existence of an energy–time commutator analogous to the position–momentum commutation relation. Instead of worrying about the definition of an operator one may consider time as a parameter in the time-dependent Schrödinger equation and study the time evolution of a wavepacket appropriately scattered on a potential barrier. Using this approach, one may formally define a tunnelling flight time that may be measured in a time-of-flight experiment. The resulting tunnelling flight time either vanishes or is very small. The implications of this observation with respect to recent hydrogen and helium atom attosecond photoionization experiments are discussed. The vanishing or small flight time does not contradict the finite time measured in Larmor clock experiments, where the tunnelling particle affects an external degree of freedom whose dynamics induced by the tunnelling may be interpreted in terms of a time scale. Flight times are also relevant to quantum reflection where coherences due to resonance scattering are not well accounted for by Wigner's phase time delay.
The time it takes a particle to tunnel through the asymmetric Eckart barrier potential is investigated using Gaussian wavepackets, where the barrier serves as a model for the potential along a chemical reaction coordinate. We have previously shown that the, in principle experimentally measurable, tunneling flight time, which determines the time taken by the transmitted particle to traverse the barrier, vanishes for symmetric potentials like the Eckart and square barrier [ Petersen , J. ; Pollak , E. J. Phys. Chem. Lett. 2017 , 9 , 4017 ]. Here we show that the same result is obtained for the asymmetric Eckart barrier potential, and therefore, the zero tunneling flight time seems to be a general result for one-dimensional time-independent potentials. The wavepacket dynamics is simulated using both an exact quantum mechanical method and a classical Wigner prescription. The excellent agreement between the two methods shows that quantum coherences are not important in pure one-dimensional tunneling and reinforces the conclusion that the tunneling flight time vanishes.
Using the time parameter in the time-dependent Schr\"odinger equation, we study the time of flight for a particle tunneling through a square barrier potential. Comparing the mean and variance of the energy and the flight time for transmitted and reflected particles, using both density and flux distributions, we find that, when accounting for momentum filtering, the suitably normalized transmitted and reflected distributions are identical in both the density and flux cases. In contrast to previous studies, we demonstrate that these results do not imply a vanishing tunneling time, but rather that the time it takes to tunnel through a square barrier is precisely given by the reflected phase time. For wide barriers, this becomes independent of the barrier width, as predicted independently by MacColl and Hartman. We show that these conclusions can be reached using a variety of arguments, including purely quantum mechanical ones. Analysis of the shapes of the distributions under consideration reveals that wave-packet reshaping is not an explanation for the MacColl-Hartman effect. The results presented here have direct implications for understanding recent experimental results in the study of the barrier crossing of rubidium atoms. The finite width of an incident wave packet significantly ``masks'' the tunneling time, and induces substantial asymmetry between the flight times of transmitted and reflected atoms.
A numerical solution to the time evolution equation of the Wigner distribution function (WDF) with an accuracy necessary to simulate the passage of a wave packet past a barrier is developed, where quantum effects require high accuracy and fine discretization. A wave packet incident on a barrier, a portion of which tunnels through, demonstrates behavior that can define various characteristic transmission and reflection delay (TARD) times useful in the simulation of electron emission. A model for the TARD times is proposed that relies only on the asymptotic maxima of the position $\ensuremath{\rho}(x,t)$ and wave number $\ensuremath{\rho}(k,t)$ densities given by the WDF and applied to a ballistic trajectory model for the (faster) transmitted and (slower) reflected parts. The dependence of the TARD times on barrier width, symmetry, and abruptness is analyzed. For symmetrical barriers with characteristics similar to field emission barrier heights and widths, TARD times are on the order of a fraction of a femtosecond. The TARD times for when tunneling predominates are contrasted to tunneling times in the literature. Use of the TARD times in simulations of field emission in nanogap devices or to model ultrashort pulses generated under rapidly changing conditions for electron sources are proposed.
We study the dynamics of the classical and quantum mechanical scattering of a wave packet from an oscillating barrier. Our main focus is on the dependence of the transmission coefficient on the initial energy of the wave packet for a wide range of oscillation frequencies. The behavior of the quantum transmission coefficient is affected by tunneling phenomena, resonances, and kinematic effects emanating from the time dependence of the potential. We show that when kinematic effects dominate (mainly in intermediate frequencies), classical mechanics provides very good approximation of quantum results. In that frequency region, the classical and quantum transmission coefficients are in optimal agreement. Moreover, the transmission threshold (i.e., the energy above which the transmission coefficient becomes larger than a specific small threshold value) is found to exhibit a minimum. We also consider the form of the transmitted wave packet and we find that for low values of the frequency the incoming classical and quantum wave packet can be split into a train of well-separated coherent pulses, a phenomenon that admits purely classical kinematic interpretation.