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Theoretical Chemistry Accounts

Relativistic electron densities in the four-component Dirac representation and in the two-component picture

Jochen Autschbach, W. H. E. Schwarz

Published May 12, 2000• 26 citations
Publisher
DOI
10.1007/s002149900108

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The solution of Dirac's equation for the hydrogen atom according to relativistic wave mechanics yields for each state a vectorial amplitude function with four components, two large and two small. Each such component has its characteristic surface of constant amplitude, of which we plot several examples. For each state of the hydrogen atom there is both a density of electronic charge surrounding the atomic nucleus and an electronic current circulating about the polar axis; the latter generates a magnetic dipolar moment that agrees precisely with experiment.
We show that, in the relativistic regime, scalar bosons satisfy a quantum wave equation which is quite analogous to the Dirac equation. In contrast with the Klein-Gordon equation it is first order with respect to time derivation. It leads in a regular way to the standard Schrödinger equation in the non-relativistic limit. There are two components for the wave function in this representation for the scalar boson, in a way completely analogous to the four components for the spin 1/21/21/2 fermion in the Dirac equation.