"Combined Quantum Mechanics and Classical Electrodynamics Multiscale Approach for Calculating of SERS Spectra" (A Brief Survey, October 2013)

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dc.contributor.author Mack, Hans-Georg de_DE
dc.date.accessioned 2013-10-28 de_DE
dc.date.accessioned 2014-03-18T10:28:11Z
dc.date.available 2013-10-28 de_DE
dc.date.available 2014-03-18T10:28:11Z
dc.date.issued 2013 de_DE
dc.identifier.other 394811526 de_DE
dc.identifier.uri http://nbn-resolving.de/urn:nbn:de:bsz:21-opus-70805 de_DE
dc.identifier.uri http://hdl.handle.net/10900/49969
dc.description.abstract The challenge to build a theory for calculating SERS optical response that inclu-des both quantum mechanics (QM) and electrodynamics (ED) lies with the fact, that the length scales needed for the two calculations differ in order of magnitude. Purely chemical models of SERS based on QM methods are generally limited to ~1 nm in size, including the metal particle/cluster, while electromagnetic field evaluations are usually based on grids or finite elements, that have 1 nm dimensions at the minimum. For this reason, theoretical treatments of SERS often take one of two paths: One approach neglects the CHEM enhancement and focuses on the predominant EM enhancement, while other studies only determine the CHEM enhancement using a small ato-mic cluster model of the nanoparticle. Much of current research in this field focuses on novel multiscale methods for analysis and understanding SERS mechanisms by combination of quantum mechanics (RT-TDDFT, LR-TDDFT) and classical electrodynamics (f.i. FDTD). The RT-TDDFT/ FDTD model will be briefly discussed here. en
dc.language.iso en de_DE
dc.publisher Universität Tübingen de_DE
dc.rights ubt-podok de_DE
dc.rights.uri http://tobias-lib.uni-tuebingen.de/doku/lic_mit_pod.php?la=de de_DE
dc.rights.uri http://tobias-lib.uni-tuebingen.de/doku/lic_mit_pod.php?la=en en
dc.subject.classification Quantenchemie , Elektromagnetismus , Maxwellsche Gleichungen , Schwingungsspektroskopie , Struktur de_DE
dc.subject.ddc 540 de_DE
dc.subject.other Ramanspektroskopie , Quantenmechanik , Elektrodynamik , SERS , TERS de_DE
dc.subject.other Quantum Chemistry , Electrodynamics , Structural Chemistry en
dc.title "Combined Quantum Mechanics and Classical Electrodynamics Multiscale Approach for Calculating of SERS Spectra" (A Brief Survey, October 2013) de_DE
dc.type Vorlesung de_DE
utue.publikation.fachbereich Chemie de_DE
utue.publikation.fakultaet 7 Mathematisch-Naturwissenschaftliche Fakultät de_DE
dcterms.DCMIType Text de_DE
utue.publikation.typ lecture de_DE
utue.opus.id 7080 de_DE

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