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Theorie und Numerik von nicht-linearen Kumulanten höherer Ordnung

URN to cite this document: urn:nbn:de:bvb:355-opus-9817

Malorny, Michael (2008) Theorie und Numerik von nicht-linearen Kumulanten höherer Ordnung. PhD, Universität Regensburg

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Abstract (German)

Die Temperaturabhängigkeit des Debye-Waller-Faktors wie er in Beugungsexperimenten einerseits und in EXAFS-Experimenten andererseits auftritt, wurde mit Hilfe von Ab-initio-Methoden berechnet und mit experimentellen Ergebnissen verglichen. Die analytische Auswertung im Beugungsfall geschah durch Entwicklung des Debye-Waller-Exponenten mit Hilfe einer von Cowley entwickelten Methode, im Falle von ...


Translation of the abstract (English)

The temperature dependency of the Debye-Waller factor as can be observed in both diffraction and EXAFS experiments was calculated with ab initio methods and compared to experimental data. In the case of diffraction the Debye-Waller exponent was expanded by a method developed by Cowley, in the case of EXAFS a cumulant expansion was carried out. In the resulting correlation functions harmonic as ...


Export bibliographical data

Item Type:Thesis of the University of Regensburg (PhD)
Date:3 June 2008
Referee:Dieter (Prof. Dr.) Strauch
Date of exam:30 April 2008
Institutions:Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Klaus Richter
Keywords:Ab-initio-Rechnung , Störungstheorie , Debye-Waller-Faktor , Dichtefunktionalformalismus , Strukturanalyse , EXAFS , , Ab initio calculaton , perturbation theory , Debye-Waller factor , density functional theory , structural analysis
Dewey Decimal Classification:500 Science > 530 Physics
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Deposited On:27 Oct 2009 16:24
Last Modified:13 Mar 2014 11:54
Item ID:10744
Owner Only: item control page


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