Density-functional and hydrodynamical approach to ion-atom collisions through a new generalized nonlinear schrodinger equation

Deb, B. M. ; Chattaraj, P. K. (1989) Density-functional and hydrodynamical approach to ion-atom collisions through a new generalized nonlinear schrodinger equation Physical Review A, 39 (4). pp. 1696-1713. ISSN 1050-2947

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Official URL: http://pra.aps.org/abstract/PRA/v39/i4/p1696_1

Related URL: http://dx.doi.org/10.1103/PhysRevA.39.1696

Abstract

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 Schrödinger 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 Schrodinger 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.

Item Type:Article
Source:Copyright of this article belongs to American Physical Society.
ID Code:9114
Deposited On:29 Oct 2010 11:35
Last Modified:27 May 2011 11:52

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