Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Physical Review A

Nonlinear wave-packet dynamics for a generic one-dimensional time-independent system and its application to the hydrogen atom in a weak magnetic field

Karine Dupret, Dominique Delande

Published Mar 1, 1996• 5 citations
Publisher

Abstract

We study the time propagation of an initially localized wave packet for a generic one-dimensional time-independent system, using the ``nonlinear wave-packet dynamics'' [S. Tomsovic and E. J. Heller, Phys. Rev. Lett. 67, 664 (1991)], a semiclassical approximation using a local linearization of the wave packet in the vicinity of classical reference trajectories. Several reference trajectories are needed to describe the behavior of the full wave packet. The introduction of action-angle variables allows us to obtain a simple analytic expression for the autocorrelation function, and to show that a universal behavior (quantum collapses, quantum revivals, etc.) is obtained via interferences between the reference trajectories. A connection with the standard WKB approach is established. Finally, we apply the nonlinear wave-packet dynamics to the case of the hydrogen atom in a weak magnetic field, and show that the semiclassical expressions obtained by nonlinear wave-packet dynamics are extremely accurate. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physreva.53.1257

Related papers

Semiclassical dynamics of circular-orbit Rydberg wave packets

Mark Mallalieu, Carlos R. Stroud

A semiclassical propagator is applied to describe the dynamics of circular-orbit wave packets which are initially well localized in three dimensions. A sum over classical Kepler trajectories for the wave-packet autocorrelation function is obtained which is extremely accurate well past the classical regime of the evolution regime of the wave packet. The nonclassical nature of the wave-packet evolution at long times is associated with the interference between amplitudes from classical paths at different energies. The time scale of the wave-packet revivals is related to the shearing rate of the corresponding classical ensemble.

Physical Review A•Apr 1, 1994•32 citations

Fictitious-time wave-packet dynamics. I. Nondispersive wave packets in the quantum Coulomb problem

Tomaž Fabčič, Jörg Main, Günter Wunner

Nondispersive wave packets in a fictitious time variable are calculated analytically for the field-free hydrogen atom. As is well known by means of the Kustaanheimo-Stiefel transformation the Coulomb problem can be converted into that of a four-dimensional harmonic oscillator, subject to a constraint. This regularization makes use of a fictitious time variable, but arbitrary Gaussian wave packets in that time variable in general violate that constraint. The set of ``restricted Gaussian wave packets'' consistent with the constraint is constructed and shown to provide a complete basis for the expansion of states in the original three-dimensional coordinate space. Using that expansion arbitrary localized Gaussian wave packets of the hydrogen atom can be propagated analytically and exhibit a nondispersive periodic behavior as functions of the fictitious time. Restricted wave packets with and without well-defined angular momentum quantum numbers are constructed. They will be used as trial functions in time-dependent variational computations for the hydrogen atom in static external fields in the subsequent paper [T. Fab\ifmmode \check{c}\else \v{c}\fi{}i\ifmmode \check{c}\else \v{c}\fi{}, J. Main, and G. Wunner, Phys. Rev. A 79, 043417 (2009)].

arXiv:0903.1611•Physical Review A•Apr 20, 2009•8 citations

Semiclassical theory of quantum propagation: The Coulomb potential

I. M. Suarez Barnes, Michael Nauenberg, Mark Douglas Nockleby +1 more

A semiclassical method is discussed for propagating wave packets that incorporates nonlinear classical dynamical information through the use of multiple reference trajectories. We apply the theory to obtain an analytic approximation for the autocorrelation function in the Coulomb potential which is extremely accurate in many circumstances in spite of the Coulomb singularity. All the detailed quantum behavior is reproduced including the long time revivals and the spectrum. The evolving phase space structure of the classical analog reveals how well a particular case will be approximated.

Physical Review Letters•Sep 27, 1993•43 citations

Semiclassical description of wave packet revival

Fabricio Toscano, Raúl O. Vallejos, Diego A. Wisniacki

We test the ability of semiclassical theory to describe quantitatively the revival of quantum wave packets-a long time phenomena-in the one dimensional quartic oscillator (a Kerr type Hamiltonian). Two semiclassical theories are considered: time-dependent WKB and Van Vleck propagation. We show that both approaches describe with impressive accuracy the autocorrelation function and wave function up to times longer than the revival time. Moreover, in the Van Vleck approach, we can show analytically that the range of agreement extends to arbitrary long times.

arXiv:0907.1220•Physical Review E•Oct 27, 2009•13 citations

Wave packet dynamics in atomic systems and Bose-Einstein condensates

Tomaž Fabčič

The wave packet dynamics in atomic systems and in Bose-Einstein condensates is investigated by means of a time-dependent variational principle. The wave packets are assumed to be parametrized by a set of time-dependent parameters. The time evolution of the parameters of the coupled Gaussian wave packets can be calculated from a set of ordinary differential equations, as obtained from the time-dependent variational principle. Unfortunately, the set of equations is ill-behaved in most practical applications, depending on the number of propagated Gaussian wave packets, and methods for regularization are needed. A general method for regularization based on applying adequate nonholonomic inequality constraints to the evolution of the parameters, keeping the equations of motion well-behaved is presented. The power of the method is demonstrated for a non-integrable system with two degrees of freedom. The Gaussian wave packet (GWP) method is applied to the three-dimensional hydrogen atom. The regularization based on the introduction of Kustaanheimo-Stiefel coordinates and a fictitious time is performed. The regularization implies a transition from the three-dimensional physical position space to a four-dimensional parameter space, spanned by the Kustaanheimo-Stiefel coordinates. The regularization is accompanied by a restriction on physically allowed wave functions. The Coulomb potential is transformed to a harmonic potential and GWPs are the exact solutions, provided they fulfill the restriction. The effect of the restriction on the four-dimensional GWP is discussed and it is shown that the GWPs can satisfy the restriction if the Gaussian parameter space is reduced in a certain way. The exact analytic evolution of the restricted GWP is presented, and the expansion of a localized initial wave function in the restricted Gaussian basis set and its analytic propagation in the fictitious time are shown. Symmetry subspaces with conserved magnetic quantum number m and with conserved angular momentum quantum numbers l,m are treated separately. The method is also applied to the non-integrable H atom in in a homogeneous magnetic field and in perpendicular external electric and magnetic fields. The evolution of the wave packets is determined by the constrained time-dependent variational principle. The numerical results are compared to numerically exact values and show excellent agreement. Another class of systems where the variational Gaussian wave packet method yields good results are cold gases. In this thesis Bose-Einstein condensates are investigated, where in addition to the common short-range contact interaction two different long-range interactions, viz. a laser induced gravity-like 1/r-interaction or a magnetic dipole-dipole interaction are present. The dynamics as resulting from the time-dependent extended Gross-Pitaevskii equation for Bose-Einstein condensates with attractive 1/r-interaction is investigated with both the GWP method and numerically exact calculations. It is shown that these condensates exhibit signatures known from the nonlinear dynamics of autonomous Hamiltonian systems. The two stationary solutions created in a tangent bifurcation at a critical value of the scattering length are identified as elliptical and hyperbolical fixed points, corresponding to stable and unstable stationary states of the condensate. The stable stationary state is surrounded by elliptical islands, corresponding to condensates periodically oscillating in time, whereas condensate wave functions in the unstable region undergo a collapse within finite time. For negative scattering lengths below the tangent bifurcation no stationary solutions exist, i.e., the condensate is always unstable and collapses. The dynamics of condensates with inter-atomic magnetic dipole-dipole interaction is investigated in the mean field limit using a Gaussian trial function. The anisotropy of the magnetic dipole-dipole interaction breaks the spherical symmetry and for ordered dipoles an effectively two-dimensional system with cylindrical symmetry is obtained. Special attention is payed to the regularity of the dynamics and it is shown that a transition from regular to chaotic motion takes place with increasing energy where regions of regular and chaotic motion coexist. It is shown that stable modes exist at energies high above the saddle point energy, i.e. at energies where a collapse of the condensate is expected.

•Jan 1, 2008•1 citation

Semiclassical treatment of quantum propagation with nonlinear classical dynamics: A third-order thawed Gaussian approximation

Lucas Kocia, Anna Klales

The time-dependent WKB approximation for a coherent state is expanded to third order around a guiding real trajectory, allowing for the novel treatment of nonlinearity in its semiclassical dynamics, which is generally present in all physical systems far from the classical regime. The result is a closed-form solution consisting of a linear combination of Airy functions and their derivatives multiplied by an exponential. The expression's ability to capture nonlinearity is demonstrated by examining the autocorrelation of initial coherent states in anharmonic systems with few to many contributing periodic orbits. Its accuracy is compared to the quadratic expansion and found to be superior in regimes of ℏ where the curvature begins to be significant, as expected. Moreover, the expression is shown to be a real-trajectory uniformization over two coalescing saddle points that are emblematic of significant curvature. This extends real-trajectory time-dependent wave-packet semiclassical methods to highly anharmonic systems for the first time and establishes their regime of validity.

Physical review. E•Sep 14, 2016•3 citations
We study the time propagation of an initially localized wave packet for a generic one-dimensional time-independent system, using the ``nonlinear wave-packet dynamics'' [S. Tomsovic and E. J. Heller, Phys. Rev. Lett. 67, 664 (1991)], a semiclassical approximation using a local linearization of the wave packet in the vicinity of classical reference trajectories. Several reference trajectories are needed to describe the behavior of the full wave packet. The introduction of action-angle variables allows us to obtain a simple analytic expression for the autocorrelation function, and to show that a universal behavior (quantum collapses, quantum revivals, etc.) is obtained via interferences between the reference trajectories. A connection with the standard WKB approach is established. Finally, we apply the nonlinear wave-packet dynamics to the case of the hydrogen atom in a weak magnetic field, and show that the semiclassical expressions obtained by nonlinear wave-packet dynamics are extremely accurate. \textcopyright{} 1996 The American Physical Society.
A semiclassical propagator is applied to describe the dynamics of circular-orbit wave packets which are initially well localized in three dimensions. A sum over classical Kepler trajectories for the wave-packet autocorrelation function is obtained which is extremely accurate well past the classical regime of the evolution regime of the wave packet. The nonclassical nature of the wave-packet evolution at long times is associated with the interference between amplitudes from classical paths at different energies. The time scale of the wave-packet revivals is related to the shearing rate of the corresponding classical ensemble.
Nondispersive wave packets in a fictitious time variable are calculated analytically for the field-free hydrogen atom. As is well known by means of the Kustaanheimo-Stiefel transformation the Coulomb problem can be converted into that of a four-dimensional harmonic oscillator, subject to a constraint. This regularization makes use of a fictitious time variable, but arbitrary Gaussian wave packets in that time variable in general violate that constraint. The set of ``restricted Gaussian wave packets'' consistent with the constraint is constructed and shown to provide a complete basis for the expansion of states in the original three-dimensional coordinate space. Using that expansion arbitrary localized Gaussian wave packets of the hydrogen atom can be propagated analytically and exhibit a nondispersive periodic behavior as functions of the fictitious time. Restricted wave packets with and without well-defined angular momentum quantum numbers are constructed. They will be used as trial functions in time-dependent variational computations for the hydrogen atom in static external fields in the subsequent paper [T. Fab\ifmmode \check{c}\else \v{c}\fi{}i\ifmmode \check{c}\else \v{c}\fi{}, J. Main, and G. Wunner, Phys. Rev. A 79, 043417 (2009)].
A semiclassical method is discussed for propagating wave packets that incorporates nonlinear classical dynamical information through the use of multiple reference trajectories. We apply the theory to obtain an analytic approximation for the autocorrelation function in the Coulomb potential which is extremely accurate in many circumstances in spite of the Coulomb singularity. All the detailed quantum behavior is reproduced including the long time revivals and the spectrum. The evolving phase space structure of the classical analog reveals how well a particular case will be approximated.
We test the ability of semiclassical theory to describe quantitatively the revival of quantum wave packets-a long time phenomena-in the one dimensional quartic oscillator (a Kerr type Hamiltonian). Two semiclassical theories are considered: time-dependent WKB and Van Vleck propagation. We show that both approaches describe with impressive accuracy the autocorrelation function and wave function up to times longer than the revival time. Moreover, in the Van Vleck approach, we can show analytically that the range of agreement extends to arbitrary long times.
The wave packet dynamics in atomic systems and in Bose-Einstein condensates is investigated by means of a time-dependent variational principle. The wave packets are assumed to be parametrized by a set of time-dependent parameters. The time evolution of the parameters of the coupled Gaussian wave packets can be calculated from a set of ordinary differential equations, as obtained from the time-dependent variational principle. Unfortunately, the set of equations is ill-behaved in most practical applications, depending on the number of propagated Gaussian wave packets, and methods for regularization are needed. A general method for regularization based on applying adequate nonholonomic inequality constraints to the evolution of the parameters, keeping the equations of motion well-behaved is presented. The power of the method is demonstrated for a non-integrable system with two degrees of freedom. The Gaussian wave packet (GWP) method is applied to the three-dimensional hydrogen atom. The regularization based on the introduction of Kustaanheimo-Stiefel coordinates and a fictitious time is performed. The regularization implies a transition from the three-dimensional physical position space to a four-dimensional parameter space, spanned by the Kustaanheimo-Stiefel coordinates. The regularization is accompanied by a restriction on physically allowed wave functions. The Coulomb potential is transformed to a harmonic potential and GWPs are the exact solutions, provided they fulfill the restriction. The effect of the restriction on the four-dimensional GWP is discussed and it is shown that the GWPs can satisfy the restriction if the Gaussian parameter space is reduced in a certain way. The exact analytic evolution of the restricted GWP is presented, and the expansion of a localized initial wave function in the restricted Gaussian basis set and its analytic propagation in the fictitious time are shown. Symmetry subspaces with conserved magnetic quantum number m and with conserved angular momentum quantum numbers l,m are treated separately. The method is also applied to the non-integrable H atom in in a homogeneous magnetic field and in perpendicular external electric and magnetic fields. The evolution of the wave packets is determined by the constrained time-dependent variational principle. The numerical results are compared to numerically exact values and show excellent agreement. Another class of systems where the variational Gaussian wave packet method yields good results are cold gases. In this thesis Bose-Einstein condensates are investigated, where in addition to the common short-range contact interaction two different long-range interactions, viz. a laser induced gravity-like 1/r-interaction or a magnetic dipole-dipole interaction are present. The dynamics as resulting from the time-dependent extended Gross-Pitaevskii equation for Bose-Einstein condensates with attractive 1/r-interaction is investigated with both the GWP method and numerically exact calculations. It is shown that these condensates exhibit signatures known from the nonlinear dynamics of autonomous Hamiltonian systems. The two stationary solutions created in a tangent bifurcation at a critical value of the scattering length are identified as elliptical and hyperbolical fixed points, corresponding to stable and unstable stationary states of the condensate. The stable stationary state is surrounded by elliptical islands, corresponding to condensates periodically oscillating in time, whereas condensate wave functions in the unstable region undergo a collapse within finite time. For negative scattering lengths below the tangent bifurcation no stationary solutions exist, i.e., the condensate is always unstable and collapses. The dynamics of condensates with inter-atomic magnetic dipole-dipole interaction is investigated in the mean field limit using a Gaussian trial function. The anisotropy of the magnetic dipole-dipole interaction breaks the spherical symmetry and for ordered dipoles an effectively two-dimensional system with cylindrical symmetry is obtained. Special attention is payed to the regularity of the dynamics and it is shown that a transition from regular to chaotic motion takes place with increasing energy where regions of regular and chaotic motion coexist. It is shown that stable modes exist at energies high above the saddle point energy, i.e. at energies where a collapse of the condensate is expected.
The time-dependent WKB approximation for a coherent state is expanded to third order around a guiding real trajectory, allowing for the novel treatment of nonlinearity in its semiclassical dynamics, which is generally present in all physical systems far from the classical regime. The result is a closed-form solution consisting of a linear combination of Airy functions and their derivatives multiplied by an exponential. The expression's ability to capture nonlinearity is demonstrated by examining the autocorrelation of initial coherent states in anharmonic systems with few to many contributing periodic orbits. Its accuracy is compared to the quadratic expansion and found to be superior in regimes of ℏ where the curvature begins to be significant, as expected. Moreover, the expression is shown to be a real-trajectory uniformization over two coalescing saddle points that are emblematic of significant curvature. This extends real-trajectory time-dependent wave-packet semiclassical methods to highly anharmonic systems for the first time and establishes their regime of validity.