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Journal of Physics B Atomic and Molecular Physics

An exactly solvable Schrodinger equation modelling quasi-resonant ion-atom collisions

H. Danared

Published Jul 14, 1984• 10 citations
Publisher

Abstract

Exact solutions to a one-dimensional, time-dependent Schrodinger equation with two colliding delta-function potentials of different strengths are presented. The equation can serve as a model for resonant and quasi-resonant ion-atom collisions. Electrons initially bound to one of the potentials may be transferred to the other potential or to a continuum state and probabilities for these processes are calculated. The model reproduces the damped oscillatory behaviour of the charge-transfer probability seen in quasi-resonant collisions when the collision energy is varied.

DOI
10.1088/0022-3700/17/13/009

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Exact solutions to a one-dimensional, time-dependent Schrodinger equation with two colliding delta-function potentials of different strengths are presented. The equation can serve as a model for resonant and quasi-resonant ion-atom collisions. Electrons initially bound to one of the potentials may be transferred to the other potential or to a continuum state and probabilities for these processes are calculated. The model reproduces the damped oscillatory behaviour of the charge-transfer probability seen in quasi-resonant collisions when the collision energy is varied.
The time-dependent Schrodinger equation for a particle in one dimension in the field of two colliding delta potentials can be solved exactly. Assuming an initial state which is bound about the left delta potential for large negative times, the solution has been used to calculate the probabilities of finding a state bound about one of the potentials long after the collision. These probabilities are oscillating functions of the reciprocal velocity. The ionisation probability goes to zero for high collision velocities and reaches 1 / 2 for small velocities.
This paper can serve as an illustration for a course on quantum mechanics. It gives a non-trivial example of the time evolution of a system, which includes a particle in the potential of two δ-traps: one of which is in the fixed position, and the other moves with constant velocity. The numerical solution of the Schrödinger equation represents the behaviour of the vector of state in quite a transparent way; one can see rough pictures of the processes of charge transfer and ionization. The numerical procedure is explained, and an exercise can be carried out in constructing other time-dependent systems, containing δ-potentials.
This paper proposes a quantum-fluid density-functional theory (an interlinking of quantum-fluid dynamics and density-functional theory) for dealing with molecular collisions, in order to incorporate both time dependence and excited states. Using a new kinetic energy density functional for ion-atom collisions, we have derived a single-particle time-dependent single density equation for many-electron systems. The equation is a new generalized nonlinear Schr\"odinger equation whose solution directly yields the time-dependent charge density, current density, and a pulsating effective potential surface on which the process occurs. The new equation is also derived through Nelson's stochastic interpretation of the single-particle Schr\"odinger equation. A ``thermodynamics'' of the entire time-evolving system is suggested in terms of space- and time-dependent quantities. New algorithms have been devised for solving the above equation in one and two spatial dimensions, in a succession of time steps. Results have been obtained and analyzed in the approach regime for proton-neon high-energy (25-keV) collisions, which permit excitation but not ionization. These results show distinct nonlinear features.
The exact solution to the one-dimensional Schr\"odinger equation which describes the motion of a particle scattering off a finite set of $\ensuremath{\delta}$-function potentials of arbitrary strengths and positions is found. The behavior of the TTT matrix both on and off the energy shell is also precisely given. Localization of states is discussed.
Analytical solutions to the time-dependent Shrödinger equation in one dimension are developed for time-independent potentials, one consisting of an infinite wall and a repulsive delta function. An exact solution is obtained by means of a convolution of time-independent solutions spanning the given Hilbert space with appropriately chosen spectral functions. Square-integrability and the boundary conditions are satisfied. The probability for the particle to be found inside the potential well is calculated and shown to exhibit non-exponential decay decreasing at large times as t−3t^{-3}t−3. The result is generalized for all square-integrable solutions to this problem.
A simple exact solution of a one-dimensional Schr\"odinger equation which describes the motion of a particle in a continuous potential V(x)V(x)V(x) and scattering from a finite set of $\ensuremath{\delta}$-function potentials of arbitrary positions and strengths is found.