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arXiv:2201.02966 · Physics Letters B

Phase-space consideration on barrier transmission in a time-dependent variational approach with superposed wave packets

Akira Ono

Published Jan 28, 2022• 3 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1016/j.physletb.2022.136931

Related papers

Comment on "Phase-space consideration on barrier transmission in a time-dependent variational approach with superposed wave packets (arXiv:2201.02966)"

Hasegawa, N., K. Hagino, Yusuke Tanimura

We reply to the criticisms of our publication (N. Hasegawa, K. Hagino, and Y. Tanimura, Phys. Lett. B808, 135693 (2020)) made by A. Ono in his recent article, arXiv:2201.02966.

arXiv:2202.00513•Jan 31, 2022•0 citations

Reply to Comment on "Phase-space consideration on barrier transmission in a time-dependent variational approach with superposed wave packets"

Akira Mei Ono

In the paper by Hasegawa, Hagino and Tanimura (HHT) [Phys. Lett. B 808 (2020) 135693, arXiv:2006.06944], they concluded that quantum tunneling was simulated by a time-dependent generator coordinate method (TDGCM). In contrast, difficulties of TDGCM in describing quantum tunneling were pointed out by Ono in the paper [Phys. Lett. B 826 (2022) 136931, arXiv:2201.02966]. Recently, HHT submitted a comment [arXiv:2202.00513v1], by which they appear to give some counterarguments to Ono's paper. Here I examine their arguments, reviewing the main points of Ono's paper. The confusion in HHT's arguments may be mostly resolved by recognizing how the wave packets interfere with each other when they are coherently superposed.

arXiv:2202.06454•Feb 14, 2022•0 citations

Quantum coherence in the reflection of above barrier wavepackets

Jakob Petersen, Eli Pollak

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 Journal of Chemical Physics•Feb 21, 2018•10 citations

Tunneling time through a rectangular barrier

Verissimo Manoel de Aquino, Valdir C. Aguilera-Navarro, Mário Goto +1 more

In this paper, we discuss the tunneling time of a quantum particle through a rectangular barrier. The reflection and transmission times associated with the wave packets representing the particle are discussed. By using an initial Gaussian momentum distribution, we carry out a comparative analysis of the stationary phases of the incident, reflected, and transmitted wave packets leading to the reflection and transmission times $\ensuremath{\Delta}{t}_{R}$ and $\ensuremath{\Delta}{t}_{T},$ respectively. In the present treatment of this old and very known problem we take into account the deformations of the reflected and transmitted momentum distributions. These deformations produce a dependence of the reflection and transmission times on the location of the initial wave packet. In a parallel calculation, by numerically monitoring the time evolution of the system, we characterize a reflection and a transmission time. Such times agree with the ones obtained via the stationary phase method.

Physical Review A•Dec 1, 1998•28 citations

Wigner wave packets: Transmission, reflection, and tunneling

Kevin L. Jensen, Joel L. Lebowitz, Jeanne M. Riga +2 more

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.

Physical review. B./Physical review. B•Apr 26, 2021•15 citations

Note on the Transmission and Reflection of Wave Packets by Potential Barriers

L. A. MacColl

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 $V(x)$ exceeds the value of the total energy $E$, 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 $V(x)$ is taken as follows: ${V(x),=0 \mathrm{for} x<0 \mathrm{and}\mathrm{for} x>a,}{={V}_{0}>0 \mathrm{for} 0<x<a.}$ A wave function is set up which initially represents a wave packet moving toward the point $x=0$ 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 $x=a$ at about the time at which the incident packet reaches the point $x=0$, so that there is no appreciable delay in the transmission of the packet through the barrier.

Physical Review•May 15, 1932•349 citations
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.
In the paper by Hasegawa, Hagino and Tanimura (HHT) [Phys. Lett. B 808 (2020) 135693, arXiv:2006.06944], they concluded that quantum tunneling was simulated by a time-dependent generator coordinate method (TDGCM). In contrast, difficulties of TDGCM in describing quantum tunneling were pointed out by Ono in the paper [Phys. Lett. B 826 (2022) 136931, arXiv:2201.02966]. Recently, HHT submitted a comment [arXiv:2202.00513v1], by which they appear to give some counterarguments to Ono's paper. Here I examine their arguments, reviewing the main points of Ono's paper. The confusion in HHT's arguments may be mostly resolved by recognizing how the wave packets interfere with each other when they are coherently superposed.
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.
In this paper, we discuss the tunneling time of a quantum particle through a rectangular barrier. The reflection and transmission times associated with the wave packets representing the particle are discussed. By using an initial Gaussian momentum distribution, we carry out a comparative analysis of the stationary phases of the incident, reflected, and transmitted wave packets leading to the reflection and transmission times $\ensuremath{\Delta}{t}_{R}$ and $\ensuremath{\Delta}{t}_{T},$ respectively. In the present treatment of this old and very known problem we take into account the deformations of the reflected and transmitted momentum distributions. These deformations produce a dependence of the reflection and transmission times on the location of the initial wave packet. In a parallel calculation, by numerically monitoring the time evolution of the system, we characterize a reflection and a transmission time. Such times agree with the ones obtained via the stationary phase method.
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.
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.