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

General time-dependent formulation of quantum scattering theory

Stuart C. Althorpe

Published Apr 2, 2004• 18 citations
Publisher

Abstract

We derive and explain the key ideas behind a time-dependent formulation of quantum scattering theory, applicable generally to systems with a finite-range scattering potential. The scattering is initiated and probed by plane wave packets, which are localized just outside the range of the potential. The asymptotic limits of conventional scattering theory (initiation in the remote past; detection in the remote future) are not taken. Instead, the differential cross section (DCS) is obtained by projecting the scattered wave packet onto the probe plane wave packets. The projection also yields a time-dependent version of the DCS. Cuts through the wave packet, just as it exits the scattering potential, yield time-dependent and time-independent angular distributions that give a close-up picture of the scattering which complements the DCS. We have previously applied the theory to interpret experimental cross sections of chemical reactions [e.g., S. C. Althorpe, F. Fern\'andez-Alonso, B. D. Bean, J. D. Ayers, A. E. Pomerantz, R. N. Zare, and E. Wrede, Nature (London) 416, 67 (2002)]. This paper gives the derivation of the theory, and explains its relation to conventional scattering theory. For clarity, the derivation is restricted to spherical-particle scattering, though it may readily be extended to general multichannel systems. We illustrate the theory using a simple application to hard-sphere scattering.

DOI
10.1103/physreva.69.042702

Related papers

Asymptotic behavior in phase-space scattering

Juan Gonzalo Muga, Robert F. Snider

The phase-space formulation of quantum scattering is discussed and the asymptotic quantities describing potential scattering in one and three dimensions (transmittances, cross sections) are analyzed. It is found that under certain conditions the transmittance in time-dependent scattering only depends on the momentum distribution of the incident packet, being independent of its particular shape in coordinate space. For three-dimensional scattering, generalized cross sections are defined for momentum coherences and a physical interpretation of the generalized optical theorem is proposed.

Physical Review A•Mar 1, 1992•13 citations

Extension of scattering theory for finite times: Three-body scattering

Tomio Yamakoshi Petrosky, Gonzalo E. Ordonez, Tomohiro Miyasaka

Scattering theory is extended to the description of processes during collision. Indeed, for large wave packets we may consider situations where time t, while large with respect to characteristic frequencies, is still smaller than the duration of the collision ${\mathit{t}}_{\mathit{c}}$. This leads to an asymptotic theory which is different from the usual S-matrix approach. There appear intermediate states with scattering cross sections which result from secular effects for t${\mathit{t}}_{\mathit{c}}$, but differ from the values obtained for t\ensuremath{\gtrsim}${\mathit{t}}_{\mathit{c}}$ in the S-matrix theory. The consideration of such intermediate time scales is the normal procedure in many-body situations as realized, for example, in chemical reactions. Our method is closely connected to our work on the extension of quantum theory beyond the Hilbert space for large Poincar\'e systems. This theory applies to persistent scattering using delocalized density matrices (an example is plane waves). For this case, the S-matrix theory is not valid, while the results of our asymptotic approach remain valid for all times. Our theoretical predictions have been validated by numerical simulations. \textcopyright{} 1996 The American Physical Society.

Physical Review A•Jun 1, 1996•7 citations

Quantum Theory of Scattering

Arjun Sharma

In this chapter we discuss the quantum theory of scattering of incident particles from the target where an incident beam has point particles, scattering is elastic, the scattering potential is time independent, there is no multiple scattering, and the interaction between an incident particle and a scattering center is described by the potential that depends only on relative positions of particles. Scattering cross-section and frame of reference, asymptotic expansion of wave function and formal expression for scattering amplitude, partial wave analysis, integral equation, and the Born approximation are covered in the chapter, in a broader sense. Free particle and asymptotic solutions, scattering amplitude and phase shift, optical theorem, scattering length, phase shift and its interpretation, scattering by a square well potential and by hard sphere potential, and interpretation of the phase shift and its expression are explained with the use of partial wave analysis. Scattering from bare and screened potentials within the Born approximation, validity of the Born approximation, and the transformation from the center of a mass coordinate system to a laboratory coordinate system are written towards the end of the chapter.

CRC Press eBooks•Jun 18, 2021•19 citations

Time-dependent Wave Packet Scattering Theory for Asymptotically Coulomb Potentials with Applications to Nuclear Collisions

Aditya S. Tejas

Non-relativistic quantum scattering theory informs our broad understanding of nuclear collision processes. However, detailed theoretical insights into the dynamics of fusion, whereby the colliding nuclei form a compound nucleus, remain elusive with conventional approaches. Fundamentally, understanding the complex dissipative processes inherent to compound nucleus formation and when they occur during the collision remains challenging. This, for example, prevents a consistent description of heavy-ion fusion over a wide range of collision energies and hinders searches for new super-heavy elements. To understand these dynamics, we need time-dependent approaches to nuclear collisions. In this thesis, a non-relativistic, time-dependent wave packet theory for potential scattering of charged quantum particles (such as nuclei) has been developed. It formally extends the application of Tannor and Weeks's (1993) formulation of the scattering matrix theory to systems containing the long-range Coulomb potential, by utilising Dollard's (1964) Møller operators. Using the asymptotic localisation of wave packets, analytical theorems have been formulated that allow convenient numerical application of this method. Numerical tests illustrating the theory mark the first rigorous application of this method in nuclear physics. Further insights are gained through a novel analysis of the wave packet time-correlation function (which underlies the theory) to understand how different dynamical processes, such as the formation of long-lived, quasi-bound states, during scattering contribute to the scattering matrix. This provides guidance on using the time-correlation function to obtain fusion observables, along with the associated challenges. Furthermore, this analysis showed that time-correlation functions can be obtained from static calculations, opening numerous new possibilities for studying the dynamics of nuclear reactions, in general, using this approach. This work opens new avenues for studying the dynamics of compound nucleus formation and other dissipative processes in nuclear reactions.

•Jan 1, 2025•1 citation

Scattering of plane wave packets by a rigid cylinder: a contribution to the quantum scattering theory

W adys aw akowicz

Time-dependent scattering of finite duration wave packets on a rigid cylinder is studied using exact solutions of the corresponding Schrodinger equation. The similarity between the time evolution of the total wavefunction and evolution of the corresponding classical ensemble of particles is exposed. Special attention is paid to a discussion of the differences between the total wavefunction dynamics and the dynamics of the scattered part of the wavefunction, the part which is commonly used for the evaluation of scattering cross-sections. This discussion emphasizes the necessity of using the total wavefunction in the description of scattering.

Journal of Physics B Atomic Molecular and Optical Physics•Apr 1, 2004•2 citations

Time-Dependent Wave-Packet Approach to Reactions for Quantum Computation

Evan Rule, Ionel Stetcu

We describe a method for obtaining the scattering matrix for nuclear or chemical reactions on a finite lattice. Aside from the preparation of the initial and final states as wave packets, the only other operation required is unitary time evolution, making this approach ideal for simulations on quantum hardware. The central quantity is a time-dependent overlap between incoming and outgoing wave packets whose Fourier transform corresponds to the scattering matrix at fixed energy, from which one can calculate elastic and inelastic cross sections for reactions involving two interacting clusters. Working in Cartesian coordinates enables an efficient encoding of the problem on quantum hardware via the first quantization mapping, with favorable qubit scaling for describing asymptotic scattering states. Within this framework, we describe a quantum algorithm for probing the scattering amplitude through different angles, including the forward direction, which provides access to the total cross section via the optical theorem. We demonstrate our methods through a series of numerical examples, for both elastic and inelastic processes, comparing against exact calculations. The techniques we describe can more readily be extended to a large number of constituent particles than other existing approaches, once fault-tolerant quantum hardware becomes available.

nucl-thCross-listedarXiv:2603.26881•Physical Review Letters•Mar 31, 2026•0 citations
We derive and explain the key ideas behind a time-dependent formulation of quantum scattering theory, applicable generally to systems with a finite-range scattering potential. The scattering is initiated and probed by plane wave packets, which are localized just outside the range of the potential. The asymptotic limits of conventional scattering theory (initiation in the remote past; detection in the remote future) are not taken. Instead, the differential cross section (DCS) is obtained by projecting the scattered wave packet onto the probe plane wave packets. The projection also yields a time-dependent version of the DCS. Cuts through the wave packet, just as it exits the scattering potential, yield time-dependent and time-independent angular distributions that give a close-up picture of the scattering which complements the DCS. We have previously applied the theory to interpret experimental cross sections of chemical reactions [e.g., S. C. Althorpe, F. Fern'andez-Alonso, B. D. Bean, J. D. Ayers, A. E. Pomerantz, R. N. Zare, and E. Wrede, Nature (London) 416, 67 (2002)]. This paper gives the derivation of the theory, and explains its relation to conventional scattering theory. For clarity, the derivation is restricted to spherical-particle scattering, though it may readily be extended to general multichannel systems. We illustrate the theory using a simple application to hard-sphere scattering.
The phase-space formulation of quantum scattering is discussed and the asymptotic quantities describing potential scattering in one and three dimensions (transmittances, cross sections) are analyzed. It is found that under certain conditions the transmittance in time-dependent scattering only depends on the momentum distribution of the incident packet, being independent of its particular shape in coordinate space. For three-dimensional scattering, generalized cross sections are defined for momentum coherences and a physical interpretation of the generalized optical theorem is proposed.
Scattering theory is extended to the description of processes during collision. Indeed, for large wave packets we may consider situations where time t, while large with respect to characteristic frequencies, is still smaller than the duration of the collision tc{\mathit{t}}_{\mathit{c}}tc​. This leads to an asymptotic theory which is different from the usual S-matrix approach. There appear intermediate states with scattering cross sections which result from secular effects for ttc{\mathit{t}}_{\mathit{c}}tc​, but differ from the values obtained for t\ensuremath{\gtrsim}tc{\mathit{t}}_{\mathit{c}}tc​ in the S-matrix theory. The consideration of such intermediate time scales is the normal procedure in many-body situations as realized, for example, in chemical reactions. Our method is closely connected to our work on the extension of quantum theory beyond the Hilbert space for large Poincar\'e systems. This theory applies to persistent scattering using delocalized density matrices (an example is plane waves). For this case, the S-matrix theory is not valid, while the results of our asymptotic approach remain valid for all times. Our theoretical predictions have been validated by numerical simulations. \textcopyright{} 1996 The American Physical Society.
In this chapter we discuss the quantum theory of scattering of incident particles from the target where an incident beam has point particles, scattering is elastic, the scattering potential is time independent, there is no multiple scattering, and the interaction between an incident particle and a scattering center is described by the potential that depends only on relative positions of particles. Scattering cross-section and frame of reference, asymptotic expansion of wave function and formal expression for scattering amplitude, partial wave analysis, integral equation, and the Born approximation are covered in the chapter, in a broader sense. Free particle and asymptotic solutions, scattering amplitude and phase shift, optical theorem, scattering length, phase shift and its interpretation, scattering by a square well potential and by hard sphere potential, and interpretation of the phase shift and its expression are explained with the use of partial wave analysis. Scattering from bare and screened potentials within the Born approximation, validity of the Born approximation, and the transformation from the center of a mass coordinate system to a laboratory coordinate system are written towards the end of the chapter.
Non-relativistic quantum scattering theory informs our broad understanding of nuclear collision processes. However, detailed theoretical insights into the dynamics of fusion, whereby the colliding nuclei form a compound nucleus, remain elusive with conventional approaches. Fundamentally, understanding the complex dissipative processes inherent to compound nucleus formation and when they occur during the collision remains challenging. This, for example, prevents a consistent description of heavy-ion fusion over a wide range of collision energies and hinders searches for new super-heavy elements. To understand these dynamics, we need time-dependent approaches to nuclear collisions. In this thesis, a non-relativistic, time-dependent wave packet theory for potential scattering of charged quantum particles (such as nuclei) has been developed. It formally extends the application of Tannor and Weeks's (1993) formulation of the scattering matrix theory to systems containing the long-range Coulomb potential, by utilising Dollard's (1964) Møller operators. Using the asymptotic localisation of wave packets, analytical theorems have been formulated that allow convenient numerical application of this method. Numerical tests illustrating the theory mark the first rigorous application of this method in nuclear physics. Further insights are gained through a novel analysis of the wave packet time-correlation function (which underlies the theory) to understand how different dynamical processes, such as the formation of long-lived, quasi-bound states, during scattering contribute to the scattering matrix. This provides guidance on using the time-correlation function to obtain fusion observables, along with the associated challenges. Furthermore, this analysis showed that time-correlation functions can be obtained from static calculations, opening numerous new possibilities for studying the dynamics of nuclear reactions, in general, using this approach. This work opens new avenues for studying the dynamics of compound nucleus formation and other dissipative processes in nuclear reactions.
Time-dependent scattering of finite duration wave packets on a rigid cylinder is studied using exact solutions of the corresponding Schrodinger equation. The similarity between the time evolution of the total wavefunction and evolution of the corresponding classical ensemble of particles is exposed. Special attention is paid to a discussion of the differences between the total wavefunction dynamics and the dynamics of the scattered part of the wavefunction, the part which is commonly used for the evaluation of scattering cross-sections. This discussion emphasizes the necessity of using the total wavefunction in the description of scattering.
We describe a method for obtaining the scattering matrix for nuclear or chemical reactions on a finite lattice. Aside from the preparation of the initial and final states as wave packets, the only other operation required is unitary time evolution, making this approach ideal for simulations on quantum hardware. The central quantity is a time-dependent overlap between incoming and outgoing wave packets whose Fourier transform corresponds to the scattering matrix at fixed energy, from which one can calculate elastic and inelastic cross sections for reactions involving two interacting clusters. Working in Cartesian coordinates enables an efficient encoding of the problem on quantum hardware via the first quantization mapping, with favorable qubit scaling for describing asymptotic scattering states. Within this framework, we describe a quantum algorithm for probing the scattering amplitude through different angles, including the forward direction, which provides access to the total cross section via the optical theorem. We demonstrate our methods through a series of numerical examples, for both elastic and inelastic processes, comparing against exact calculations. The techniques we describe can more readily be extended to a large number of constituent particles than other existing approaches, once fault-tolerant quantum hardware becomes available.