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Jacobi-Davidson type methods for computing rovibronic energy levels of triatomic moleculesLanger, Peter January 2008 (has links)
Zugl.: Wuppertal, Univ., Diss., 2008
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From localization to delocalization: numerical studies of transport in disordered systemsRömer, Rudolf 22 June 2000 (has links) (PDF)
The present thesis reviews my scientific works on disordered systems
from 1995 until today. They can be roughly categorized into three main
classes: (1) non-interacting disordered systems, (2) the
two-interacting particle problem, and (3) the interplay of disorder
and many-particle interaction. A (4)th chapter is concerned with the
implementation of the numerical algorithms. The structure of the
thesis reflects this division. The reprints have been added at the end
of these main divisions according to their context. For the
convenience of the reader, I have ordered them in each chapter
alphabetically according to the names of the authors. Furthermore, in
each citation of my work, the starting page number in the thesis is
given, e.g, Ref.\ \cite{EPR97} refers to a paper of Eckle, Punnoose
and myself and can be found on page \pageref{EPR97}. Citations which
do not refer to my work are numbered and are ordered in the
bibliography according to the names of the authors.
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From localization to delocalization: numerical studies of transport in disordered systemsRömer, Rudolf 19 April 2000 (has links)
The present thesis reviews my scientific works on disordered systems
from 1995 until today. They can be roughly categorized into three main
classes: (1) non-interacting disordered systems, (2) the
two-interacting particle problem, and (3) the interplay of disorder
and many-particle interaction. A (4)th chapter is concerned with the
implementation of the numerical algorithms. The structure of the
thesis reflects this division. The reprints have been added at the end
of these main divisions according to their context. For the
convenience of the reader, I have ordered them in each chapter
alphabetically according to the names of the authors. Furthermore, in
each citation of my work, the starting page number in the thesis is
given, e.g, Ref.\ \cite{EPR97} refers to a paper of Eckle, Punnoose
and myself and can be found on page \pageref{EPR97}. Citations which
do not refer to my work are numbered and are ordered in the
bibliography according to the names of the authors.
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Spectroscopic Studies of the Interfaces Between Molecules and Ferromagnetic SubstratesGuo, Jing 14 December 2018 (has links)
Die große Vielfalt an organischen Komplexen, kombiniert mit der Möglichkeit, die chemische Reaktivität und den elektronischen Grundzustand unterschiedlicher Komplexe innerhalb derselben Molekülfamilie abzustimmen, machen solche Materialien für elektronische Anwendungen attraktiv. Auf Grund ihrer langen Spin-Lebensdauer sind Moleküle auch für Spintronik-Anwendungen sehr geeignet.
In dieser Arbeit werden die Grenzflächen zwischen organischen Halbleitern und Metallen sowie zwei organischen Halbleitern durch spektroskopische Techniken untersucht. Das erste Kapitel beinhaltet eine allgemeine Einführung zu organischen Halbleitern und Eigenschaften von Grenzflächen. Im experimentellen Teil werden die untersuchten Moleküle und verwendeten Messmethoden detailliert vorgestellt. Der dritte Teil dieser Arbeit zeigt die Auswirkung verschiedener Substrate (Co und Ni) oder Molekülkombinationen (CoPc und FePc) auf die Wechselwirkungs- und Ladungsübertragungskanäle. In dem nachfolgenden Teil werden elektronische Zustände und Wechselwirkungen an Organik-Organik Grenzflächen am Beispiel von VOPc/F16CuPc und F16CoPc/rubren diskutiert. Der letzte Teil dieser Arbeit zeigt, wie die Eigenschaften der Substrate und die Modifikation der Moleküle die molekulare Orientierung beeinflussen können.
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