Calculating state-to-state transition probabilities within TDDFT

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dc.creatorRohringer, Nina
dc.creatorPeter, Simone
dc.creatorBurgdörfer, Joachim
dc.date2005-11-16
dc.date.accessioned2026-07-07T06:52:48Z
dc.date.available2026-07-07T06:52:48Z
dc.descriptionThe determination of the elements of the S-matrix within the framework of time-dependent density-functional theory (TDDFT) has remained a widely open question. We explore two different methods to calculate state-to-state transition probabilities. The first method closely follows the extraction of the S-matrix from the time-dependent Hartree-Fock approximation. This method suffers from cross-channel correlations resulting in oscillating transition probabilities in the asymptotic channels. An alternative method is proposed which corresponds to an implicit functional in the time-dependent density. It gives rise to stable and accurate transition probabilities. An exactly solvable two-electron system serves as benchmark for a quantitative test.
dc.identifierhttps://arxiv.org/abs/quant-ph/0511167
dc.identifierhttp://arxiv.org/abs/quant-ph/0511167
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/105419
dc.subjectQuantum Physics
dc.titleCalculating state-to-state transition probabilities within TDDFT
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