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Springer eBooks

Density Functional Approach to Time-Dependent and to Relativistic Systems

Eberhard K. U. Gross, Reiner M. Dreizler

Published Jan 1, 1985• 7 citations
Publisher
DOI
10.1007/978-1-4757-0818-9_4

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Relativistic diffraction in time wave functions can be used as a basis for causal scattering waves. We derive such exact wave function for a beam of Dirac and Klein-Gordon particles. The transient Dirac spinors are expressed in terms of integral defined functions which are the relativistic equivalent of the Fresnel integrals. When plotted versus time the exact relativistic densities show transient oscillations which resemble a diffraction pattern. The Dirac and Klein-Gordon time oscillations look different, hence relativistic diffraction in time depends strongly on the particle spin.
Provided the initial state, the Runge-Gross theorem establishes that the time-dependent (TD) external potential of a system of non-relativistic electrons determines uniquely their TD electronic density, and vice versa (up to a constant in the potential). This theorem requires the TD external potential and density to be Taylor-expandable around the initial time of the propagation. This paper presents an extension without this restriction. Given the initial state of the system and evolution of the density due to some TD scalar potential, we show that a perturbative (not necessarily weak) TD potential that induces a non-zero divergence of the external force-density, inside a small spatial subset and immediately after the initial propagation time, will cause a change in the density within that subset, implying that the TD potential uniquely determines the TD density. In this proof, we assume unitary evolution of wavefunctions and first-order differentiability (which does not imply analyticity) in time of the internal and external force-densities, electronic density, current density, and their spatial derivatives over the small spatial subset and short time interval.
We construct phase-space representations for a relativistic particle in both a constant and a time-dependent linear potential. We obtain explicit expressions for the Wigner distribution functions for these systems and find the correct nonrelativistic limit and free-particle limit for these functions. We derive the relativistic dynamical equation governing the time development of the Wigner distribution function and relativistic equation for the Wigner distribution function of stationary states and also calculate the amplitudes of transitions between energy states.