Ionic displacement caused by electronic excitations |
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Institution: | Fachbereich Physik, Universität Osnabrück, Barbarastraße 7, 49069 Osnabrück, Germany |
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Abstract: | Electronic excitations are often accompanied by displacement of the ions from their ground-state equilibrium positions. This leads to line broadening of optical spectra, Stokes shifts, conformational changes, and photoinduced reactions. Here we discuss approaches to these features within ab-initio methods, in particular within many-body perturbation theory. A number of various systems, including molecules, point defects, polymers, and surfaces, are discussed to illustrate issues like localization and self-trapping that are relevant for a detailed understanding of the interrelation between excited states and geometrical structure. To cite this article: M. Rohlfing, C. R. Physique 10 (2009). |
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