Jörg Breidbach

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In this work we calculate the photoelectron spectrum of the PtCl(6) (2-) dianion by application of the recently developed third-order Dirac-Hartree-Fock implementation of the one-particle propagator technique allowing for a consistent treatment of spin-orbit and scalar relativistic effects together with electron correlation. For PtCl(6) (2-) a gas phase(More)
When an electron is suddenly removed, a universal response of the system is shown to occur on an attosecond (10(-18) s) time scale. During this response time, which lasts about 50 attoseconds, the density of the created hole changes in a characteristic way. Explicit examples are shown. The results are analyzed in terms of the eigenstates of the residual ion(More)
An ab initio method for multielectron wave-packet propagation in relatively large systems is presented. It allows the description of ultrafast electron dynamics processes before the coupling with the nuclear motion becomes important. The method is applied to the amino acid glycine for the investigation of the migration of hole charge following the(More)
A hole charge created in a molecular system, for instance, by ionization, can migrate through the system solely driven by electron correlation. This charge transfer due to electron correlation is referred to as charge migration. We introduce in this work a new ab initio method analyzing charge migration due to electron correlation in molecules. This method,(More)
The authors deal with the optimization of production planning in the mixed-model assembly production. Modern paint shops are highly complex facilities with a multitude of interdependent process steps. In order to describe the occurring throughput and processing times, the behavior of these times is of great interest for production planning, a modeling of(More)
A hole created in a system, for instance by ionization, can migrate through the system solely driven by many-electron effects. The implementation of the theory of charge migration and the numerical algorithms used are described in detail. A description of the ab initio calculation of charge migration in realistic systems is presented for several examples(More)
A hole charge created in a molecule, for instance, by ionization, can migrate through the system solely driven by electron correlation. The migration of a hole charge following ionization in N-methyl acetamide (a molecular system containing a peptide bond) is investigated. The initial hole charge is localized at one specific site of the molecule. Ab initio(More)
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