Theoretical Studies of Ultrafast Electron Transfer Reactions in Condensed Phases

Ivan Kondov (), Haobin Wang () and Michael Thoss ()
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Ivan Kondov: Technische Universität München, Theoretische Chemie
Haobin Wang: MSC 3C New Mexico State University, Department of Chemistry and Biochemistry
Michael Thoss: Technische Universität München, Theoretische Chemie

A chapter in High Performance Computing in Science and Engineering, Munich 2004, 2005, pp 211-223 from Springer

Abstract: Abstract In this report we present dynamical simulations of ultrafast electron transfer (ET) reactions in mixed valence compounds in solution and at dye-semiconductor interfaces. The dynamical calculations are based on the self-consistent hybrid approach. To study the ET dynamics we consider the population dynamics of the donor/acceptor states as well as pump-probe spectra for these reactions. In addition, results of electronic structure calculations for small models of dye-semiconductor complexes are presented.

Keywords: Swiss Federal Institute; Protein Environment; Protein Binding Pocket; Ionone Ring; Membrane Mimetic Environment (search for similar items in EconPapers)
Date: 2005
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-540-26657-0_19

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DOI: 10.1007/3-540-26657-7_19

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