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@TECHREPORT{Kordt:21592,
author = {Kordt, Pascal},
title = {{S}ingle-site {G}reen-function of the {D}irac equation for
full-potential electron scattering},
volume = {34},
school = {RWTH Aachen},
type = {Diplom (Univ.)},
address = {Jülich},
publisher = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
reportid = {PreJuSER-21592},
isbn = {978-3-89336-760-3},
series = {Schriften des Forschungszentrums Jülich.
Schlüsseltechnologien / Key Technologies},
pages = {138 S.},
year = {2011},
note = {Record converted from JUWEL: 18.07.2013; RWTH Aachen,
Diss., 2011},
abstract = {I present an elaborated analytical examination of the Green
function of an electron scattered at a single-site
potential, for both the Schrödinger and the Dirac equation,
followed by an efficient numerical solution, in both cases
for potentials of arbitrary shape without an atomic sphere
approximation. A numerically stable way to calculate the
corresponding regular and irregular wave functions and the
Green function is via the angular Lippmann-Schwinger
integral equations. These are solved based on an expansion
in Chebyshev polynomials and their recursion relations,
allowing to rewrite the Lippmann-Schwinger equations into a
system of algebraic linear equations. Gonzales et al.
developed this method for the Schrödinger equation, where
it gives a much higher accuracy compared to previous
perturbation methods, with only modest increase in
computational effort. In order to apply it to the Dirac
equation, I developed relativistic Lippmann-Schwinger
equations, based on a decomposition of the potential matrix
into spin spherical harmonics, exploiting certain properties
of this matrix. The resulting method was embedded into a
Korringa-Kohn-Rostoker code for density functional
calculations. As an example, the method is applied by
calculating phase shifts and the Mott scattering of a
tungsten impurity.},
cin = {PGI-1 / IAS-1},
ddc = {500},
cid = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406},
pnm = {Grundlagen für zukünftige Informationstechnologien},
pid = {G:(DE-Juel1)FUEK412},
typ = {PUB:(DE-HGF)15},
url = {https://juser.fz-juelich.de/record/21592},
}